Synonyms
Status
Molecule Category UNKNOWN
UNII P5M4972608

Structure

InChI Key BPLVDYJDAVYLRQ-UHFFFAOYSA-N
Smiles COCCc1ccc(-c2c(C)nc3c(N4CCOCC4)ccnn23)cn1
InChI
InChI=1S/C19H23N5O2/c1-14-18(15-3-4-16(20-13-15)6-10-25-2)24-19(22-14)17(5-7-21-24)23-8-11-26-12-9-23/h3-5,7,13H,6,8-12H2,1-2H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C19H23N5O2
Molecular Weight 353.43
AlogP 2.13
Hydrogen Bond Acceptor 7.0
Hydrogen Bond Donor 0.0
Number of Rotational Bond 5.0
Polar Surface Area 64.78
Molecular species NEUTRAL
Aromatic Rings 3.0
Heavy Atoms 26.0
Assay Description Organism Bioactivity Reference
Inhibition of rat recombinant PDE10A2 expressed in baculovirus infected SF21 cells using [3H]cAMP as substrate after 60 mins by scintillation proximity assay Rattus norvegicus 58.0 nM
SPA with human PDE10A Homo sapiens 13.0 nM
SPA with rat PDE10A Rattus 19.0 nM
SPA with mouse PDE10A Mus musculus 11.0 nM
CHK1 checkpoint homolog (S. pombe) Millipore kinase panel Homo sapiens -9.0 %
colony stimulating factor 1 receptor Millipore kinase panel Homo sapiens 4.0 %
conserved helix-loop-helix ubiquitous kinase Millipore kinase panel Homo sapiens -3.0 %
cyclin-dependent kinase 1 / clyclinB Millipore kinase panel Homo sapiens 5.0 %
cyclin-dependent kinase 2 / clyclinA Millipore kinase panel Homo sapiens 2.0 %
cyclin-dependent kinase 2 /clyclinE Millipore kinase panel Homo sapiens 1.0 %
cyclin-dependent kinase 3 / cyclinE Millipore kinase panel Homo sapiens 7.0 %
cyclin-dependent kinase 5 / p25 Millipore kinase panel Homo sapiens 0.0 %
cyclin-dependent kinase 5 / p35 Millipore kinase panel Homo sapiens -5.0 %
cyclin-dependent kinase 6 / cyclinD3 Millipore kinase panel Homo sapiens 0.0 %
Cyclin-dependent kinase 7 / cyclinH / MAT Millipore kinase panel Homo sapiens 1.0 %
cyclin-dependent kinase 9 / cyclinT1 Millipore kinase panel Homo sapiens -1.0 %
death-associated protein kinase 1 Millipore kinase panel Homo sapiens -2.0 %
death-associated protein kinase 2 Millipore kinase panel Homo sapiens -1.0 %
death-associated protein kinase 3 Millipore kinase panel Homo sapiens -2.0 %
discoidin domain receptor tyrosine kinase 2 Millipore kinase panel Homo sapiens -5.0 %
doublecortin-like kinase 2 Millipore kinase panel Homo sapiens -6.0 %
dual-specificity tyrosine-(Y)-phosphorylation regulated kinase 2 Millipore kinase panel Homo sapiens -3.0 %
dystrophia myotonica-protein kinase Millipore kinase panel Homo sapiens -15.0 %
EPH receptor A1 Millipore kinase panel Homo sapiens 7.0 %
EPH receptor A2 Millipore kinase panel Homo sapiens 7.0 %
EPH receptor A3 Millipore kinase panel Homo sapiens 4.0 %
EPH receptor A4 Millipore kinase panel Homo sapiens 2.0 %
EPH receptor A5 Millipore kinase panel Homo sapiens -9.0 %
EPH receptor A7 Millipore kinase panel Homo sapiens 0.0 %
EPH receptor A8 Millipore kinase panel Homo sapiens 0.0 %
EPH receptor B1 Millipore kinase panel Homo sapiens 2.0 %
EPH receptor B2 Millipore kinase panel Homo sapiens -18.0 %
EPH receptor B3 Millipore kinase panel Homo sapiens 3.0 %
EPH receptor B4 Millipore kinase panel Homo sapiens -35.0 %
epidermal growth factor receptor Millipore kinase panel Homo sapiens -19.0 %
eukaryotic elongation factor-2 kinase Millipore kinase panel Homo sapiens -2.0 %
feline sarcoma oncogene Millipore kinase panel Homo sapiens 13.0 %
fer (fps/fes related) tyrosine kinase Millipore kinase panel Homo sapiens 0.0 %
fibroblast growth factor receptor 1 Millipore kinase panel Homo sapiens 8.0 %
fibroblast growth factor receptor 2 Millipore kinase panel Homo sapiens -5.0 %
fibroblast growth factor receptor 3 Millipore kinase panel Homo sapiens -2.0 %
fibroblast growth factor receptor 4 Millipore kinase panel Homo sapiens -7.0 %
fms-related tyrosine kinase 1 Millipore kinase panel Homo sapiens -5.0 %
fms-related tyrosine kinase 3 Millipore kinase panel Homo sapiens 6.0 %
fms-related tyrosine kinase 4 Millipore kinase panel Homo sapiens -4.0 %
fyn-related kinase Millipore kinase panel Homo sapiens -7.0 %
FYN oncogene related to SRC, FGR, YES Millipore kinase panel Homo sapiens 3.0 %
G protein-coupled receptor kinase 5 Millipore kinase panel Homo sapiens -4.0 %
G protein-coupled receptor kinase 6 Millipore kinase panel Homo sapiens 3.0 %
G protein-coupled receptor kinase 7 Millipore kinase panel Homo sapiens 6.0 %
Gardner-Rasheed feline sarcoma viral (v-fgr) oncogene homolog Millipore kinase panel Homo sapiens 7.0 %
germ cell associated 2 (haspin) Millipore kinase panel Homo sapiens 5.0 %
glycogen synthase kinase 3 alpha Millipore kinase panel Homo sapiens -42.0 %
glycogen synthase kinase 3 beta Millipore kinase panel Homo sapiens -1.0 %
hemopoietic cell kinase (activated) Millipore kinase panel Homo sapiens -3.0 %
hemopoietic cell kinase Millipore kinase panel Homo sapiens -2.0 %
homeodomain interacting protein kinase 1 Millipore kinase panel Homo sapiens 11.0 %
homeodomain interacting protein kinase 2 Millipore kinase panel Homo sapiens 0.0 %
homeodomain interacting protein kinase 3 Millipore kinase panel Homo sapiens -6.0 %
IL2-inducible T-cell kinase Millipore kinase panel Homo sapiens 1.0 %
inhib of kappa light polypeptide gene enhancer in B-cells, kinase beta Millipore kinase panel Homo sapiens -16.0 %
insulin-like growth factor 1 receptor (activated) Millipore kinase panel Homo sapiens 3.0 %
insulin-like growth factor 1 receptor Millipore kinase panel Homo sapiens 1.0 %
insulin receptor-related receptor Millipore kinase panel Homo sapiens 10.0 %
insulin receptor (activated) Millipore kinase panel Homo sapiens -2.0 %
insulin receptor Millipore kinase panel Homo sapiens -16.0 %
interleukin-1 receptor-associated kinase 1 Millipore kinase panel Homo sapiens -3.0 %
interleukin-1 receptor-associated kinase 4 Millipore kinase panel Homo sapiens -1.0 %
Janus kinase 2 Millipore kinase panel Homo sapiens -32.0 %
Janus kinase 3 Millipore kinase panel Homo sapiens -13.0 %
kinase insert domain receptor Millipore kinase panel Homo sapiens -4.0 %
LIM domain kinase 1 Millipore kinase panel Homo sapiens -3.0 %
lymphocyte-specific protein tyrosine kinase (activated) Millipore kinase panel Homo sapiens -4.0 %
lymphocyte-specific protein tyrosine kinase Millipore kinase panel Homo sapiens 13.0 %
macrophage stimulating 1 receptor Millipore kinase panel Homo sapiens 3.0 %
MAP kinase interacting serine/threonine kinase 2 Millipore kinase panel Homo sapiens 10.0 %
MAP/microtubule affinity-regulating kinase 1 Millipore kinase panel Homo sapiens -6.0 %
MAP/microtubule affinity-regulating kinase 2 Millipore kinase panel Homo sapiens 9.0 %
mechanistic target of rapamycin / FKBP12 Millipore kinase panel Homo sapiens 9.0 %
mechanistic target of rapamycin Millipore kinase panel Homo sapiens 1.0 %
met proto-oncogene Millipore kinase panel Homo sapiens -6.0 %
misshapen-like kinase 1 Millipore kinase panel Homo sapiens 9.0 %
mitogen-activated protein kinase-activated protein kinase 2 Millipore kinase panel Homo sapiens -5.0 %
mitogen-activated protein kinase-activated protein kinase 3 Millipore kinase panel Homo sapiens 3.0 %
mitogen-activated protein kinase-activated protein kinase 5 Millipore kinase panel Homo sapiens 7.0 %
mitogen-activated protein kinase 1 (MAPK2) Millipore kinase panel Homo sapiens 4.0 %
mitogen-activated protein kinase 1 Millipore kinase panel Homo sapiens 1.0 %
mitogen-activated protein kinase 10 Millipore kinase panel Homo sapiens 18.0 %
mitogen-activated protein kinase 11 Millipore kinase panel Homo sapiens -2.0 %
mitogen-activated protein kinase 12 Millipore kinase panel Homo sapiens 2.0 %
mitogen-activated protein kinase 13 Millipore kinase panel Homo sapiens 4.0 %
mitogen-activated protein kinase 14 Millipore kinase panel Homo sapiens -4.0 %
mitogen-activated protein kinase 8 Millipore kinase panel Homo sapiens -3.0 %
mitogen-activated protein kinase 9 Millipore kinase panel Homo sapiens 0.0 %
mitogen-activated protein kinase kinase 1 Millipore kinase panel Homo sapiens -1.0 %
mitogen-activated protein kinase kinase 6 Millipore kinase panel Homo sapiens -5.0 %
mitogen-activated protein kinase kinase 7 Millipore kinase panel Homo sapiens -11.0 %
mitogen-activated protein kinase kinase kinase 5 Millipore kinase panel Homo sapiens -2.0 %
mitogen-activated protein kinase kinase kinase 7 Millipore kinase panel Homo sapiens 5.0 %
mitogen-activated protein kinase kinase kinase 9 Millipore kinase panel Homo sapiens 5.0 %
mitogen-activated protein kinase kinase kinase kinase 1 Millipore kinase panel Homo sapiens 5.53 %
mitogen-activated protein kinase kinase kinase kinase 2 Millipore kinase panel Homo sapiens -5.0 %
muscle, skeletal, receptor tyrosine kinase Millipore kinase panel Homo sapiens -6.0 %
myosin light chain kinase Millipore kinase panel Homo sapiens 2.0 %
nemo-like kinase Millipore kinase panel Homo sapiens 2.0 %
neurotrophic tyrosine kinase, receptor, type 1 Millipore kinase panel Homo sapiens 7.0 %
neurotrophic tyrosine kinase, receptor, type 2 Millipore kinase panel Homo sapiens -5.0 %
NIMA -related kinase 11 Millipore kinase panel Homo sapiens -2.0 %
NIMA -related kinase 2 Millipore kinase panel Homo sapiens -1.0 %
NIMA -related kinase 3 Millipore kinase panel Homo sapiens 4.0 %
NIMA -related kinase 6 Millipore kinase panel Homo sapiens 1.0 %
NIMA -related kinase 7 Millipore kinase panel Homo sapiens 2.0 %
NUAK family, SNF1-like kinase, 1 Millipore kinase panel Homo sapiens 7.0 %
p21 protein -activated kinase 2 Millipore kinase panel Homo sapiens -3.0 % p21 protein -activated kinase 2 Millipore kinase panel Homo sapiens -3.0 %
p21 protein -activated kinase 3 Millipore kinase panel Homo sapiens -13.0 %
p21 protein -activated kinase 4 Millipore kinase panel Homo sapiens -11.0 %
p21 protein -activated kinase 5 Millipore kinase panel Homo sapiens 7.0 %
p21 protein -activated kinase 6 Millipore kinase panel Homo sapiens 5.0 %
PAS domain containing serine/threonine kinase Millipore kinase panel Homo sapiens 5.0 %
phosphoinositide-3-kinase, catalytic, beta polypeptide Millipore kinase panel Homo sapiens 1.0 %
phosphoinositide-3-kinase, catalytic, delta polypeptide Millipore kinase panel Homo sapiens 1.0 %
phosphoinositide-3-kinase, catalytic, gamma polypeptide Millipore kinase panel Homo sapiens -4.0 %
phosphorylase kinase, gamma 2 Millipore kinase panel Homo sapiens -3.0 %
pim-1 oncogene Millipore kinase panel Homo sapiens 10.0 %
pim-2 oncogene Millipore kinase panel Homo sapiens -44.0 %
pim-3 oncogene Millipore kinase panel Homo sapiens 11.0 %
platelet-derived growth factor receptor, alpha polypeptide Millipore kinase panel Homo sapiens -18.0 %
platelet-derived growth factor receptor, beta polypeptide Millipore kinase panel Homo sapiens -3.0 %
polo-like kinase 1 Millipore kinase panel Homo sapiens 0.0 %
polo-like kinase 2 Millipore kinase panel Homo sapiens -7.0 %
polo-like kinase 3 Millipore kinase panel Homo sapiens -2.0 %
protein kinase C, alpha Millipore kinase panel Homo sapiens 15.0 %
protein kinase C, beta 1 Millipore kinase panel Homo sapiens -5.0 %
protein kinase C, beta 2 Millipore kinase panel Homo sapiens 3.0 %
protein kinase C, delta Millipore kinase panel Homo sapiens -2.0 %
protein kinase C, epsilon Millipore kinase panel Homo sapiens -11.0 %
protein kinase C, eta Millipore kinase panel Homo sapiens -2.0 %
protein kinase C, gamma Millipore kinase panel Homo sapiens -4.0 %
protein kinase C, iota Millipore kinase panel Homo sapiens 3.0 %
protein kinase C, theta Millipore kinase panel Homo sapiens 2.0 %
protein kinase C, zeta Millipore kinase panel Homo sapiens 5.0 %
protein kinase D1 Millipore kinase panel Homo sapiens -5.0 %
protein kinase D2 Millipore kinase panel Homo sapiens 2.0 %
protein kinase N2 Millipore kinase panel Homo sapiens -22.0 %
protein kinase, AMP-activated, alpha 1 catalytic subunit Millipore kinase panel Homo sapiens -11.0 %
protein kinase, AMP-activated, alpha 2 catalytic subunit Millipore kinase panel Homo sapiens 2.0 %
protein kinase, cAMP-dependent, catalytic, alpha Millipore kinase panel Homo sapiens -37.0 %
protein kinase, cGMP-dependent, type I Millipore kinase panel Homo sapiens 2.0 %
protein kinase, cGMP-dependent, type II Millipore kinase panel Homo sapiens 1.0 %
protein kinase, X-linked Millipore kinase panel Homo sapiens 4.0 %
PTK2 protein tyrosine kinase 2 Millipore kinase panel Homo sapiens -2.0 %
PTK2B protein tyrosine kinase 2 beta Millipore kinase panel Homo sapiens -4.0 %
PTK6 protein tyrosine kinase 6 Millipore kinase panel Homo sapiens -6.0 %
receptor-interacting serine-threonine kinase 2 Millipore kinase panel Homo sapiens -6.0 %
ret proto-oncogene Millipore kinase panel Homo sapiens 5.0 %
Rho-associated, coiled-coil containing protein kinase 1 Millipore kinase panel Homo sapiens -6.0 %
Rho-associated, coiled-coil containing protein kinase 2 Millipore kinase panel Homo sapiens -3.0 %
ribosomal protein S6 kinase, 70kDa, polypeptide 1 Millipore kinase panel Homo sapiens -7.0 %
ribosomal protein S6 kinase, 90kDa, polypeptide 1 Millipore kinase panel Homo sapiens 9.0 %
ribosomal protein S6 kinase, 90kDa, polypeptide 2 Millipore kinase panel Homo sapiens -16.0 %
ribosomal protein S6 kinase, 90kDa, polypeptide 3 Millipore kinase panel Homo sapiens -20.0 %
ribosomal protein S6 kinase, 90kDa, polypeptide 4 Millipore kinase panel Homo sapiens 2.0 %
ribosomal protein S6 kinase, 90kDa, polypeptide 5 Millipore kinase panel Homo sapiens 3.0 %
ribosomal protein S6 kinase, 90kDa, polypeptide 6 Millipore kinase panel Homo sapiens -10.0 %
serine/threonine kinase 10 Millipore kinase panel Homo sapiens 0.0 %
serine/threonine kinase 11 Millipore kinase panel Homo sapiens 4.0 %
serine/threonine kinase 17a Millipore kinase panel Homo sapiens -9.0 %
serine/threonine kinase 24 Millipore kinase panel Homo sapiens 9.0 %
serine/threonine kinase 3 Millipore kinase panel Homo sapiens -8.0 %
serine/threonine kinase 33 Millipore kinase panel Homo sapiens -1.0 %
serine/threonine kinase 4 Millipore kinase panel Homo sapiens -7.0 %
serum/glucocorticoid regulated kinase 1 Millipore kinase panel Homo sapiens -3.0 %
serum/glucocorticoid regulated kinase 2 Millipore kinase panel Homo sapiens -3.0 %
serum/glucocorticoid regulated kinase family, member 3 Millipore kinase panel Homo sapiens 1.0 %
SFRS protein kinase 1 Millipore kinase panel Homo sapiens -11.0 %
SFRS protein kinase 2 Millipore kinase panel Homo sapiens -16.0 %
SFRS protein kinase 3 Millipore kinase panel Homo sapiens -6.0 %
spleen tyrosine kinase Millipore kinase panel Homo sapiens -7.0 %
TANK-binding kinase 1 Millipore kinase panel Homo sapiens -3.0 %
TAO kinase 1 Millipore kinase panel Homo sapiens -11.0 %
TAO kinase 2 Millipore kinase panel Homo sapiens 10.0 %
TAO kinase 3 Millipore kinase panel Homo sapiens 0.0 %
tec protein tyrosine kinase (activated) Millipore kinase panel Homo sapiens 7.0 %
TEK tyrosine kinase, endothelial Millipore kinase panel Homo sapiens 1.0 %
testis-specific serine kinase 1B Millipore kinase panel Homo sapiens 2.0 %
testis-specific serine kinase 2 Millipore kinase panel Homo sapiens 1.0 %
Toll like receptor 4 Millipore kinase panel Homo sapiens -5.24 %
tousled-like kinase 2 Millipore kinase panel Homo sapiens -5.0 %
TXK tyrosine kinase Millipore kinase panel Homo sapiens 6.0 %
TYRO3 protein tyrosine kinase Millipore kinase panel Homo sapiens 1.0 %
tyrosine kinase, non-receptor, 2 Millipore kinase panel Homo sapiens 0.0 %
unc-51-like kinase 2 Millipore kinase panel Homo sapiens 6.0 %
unc-51-like kinase 3 Millipore kinase panel Homo sapiens -17.0 %
v-abl Abelson murine leukemia viral oncogene homolog 2 Millipore kinase panel Homo sapiens 6.0 %
v-akt murine thymoma viral oncogene homolog 1 Millipore kinase panel Homo sapiens 35.0 %
v-akt murine thymoma viral oncogene homolog 2 Millipore kinase panel Homo sapiens -15.0 %
v-akt murine thymoma viral oncogene homolog 3 Millipore kinase panel Homo sapiens 24.0 %
v-erb-a erythroblastic leukemia viral oncogene homolog 4 Millipore kinase panel Homo sapiens 9.0 %
v-kit Hardy-Zuckerman 4 feline sarcoma viral oncogene homolog Millipore kinase panel Homo sapiens 4.0 %
v-raf-1 murine leukemia viral oncogene homolog 1 Millipore kinase panel Homo sapiens 10.0 %
v-src sarcoma viral oncogene homolog Millipore kinase panel Homo sapiens -5.0 %
v-yes-1 Yamaguchi sarcoma viral oncogene homolog 1 Millipore kinase panel Homo sapiens 0.0 %
v-yes-1 Yamaguchi sarcoma viral related oncogene homolog Millipore kinase panel Homo sapiens -1.0 %
vaccinia related kinase 2 Millipore kinase panel Homo sapiens -4.0 %
WNK lysine deficient protein kinase 2 Millipore kinase panel Homo sapiens -1.0 %
WNK lysine deficient protein kinase 3 Millipore kinase panel Homo sapiens 0.0 %
zeta-chain associated protein kinase 70kDa Millipore kinase panel Homo sapiens 4.0 %
hPDE1B1 PDE scan Homo sapiens 3.4 µM
hPDE2A PDE scan Homo sapiens 32.0 µM
hPDE3A PDE scan Homo sapiens 49.0 µM
hPDE4D3 PDE scan Homo sapiens 15.0 µM
hPDE5A3 PDE scan Homo sapiens 8.5 µM
hPDE6AB PDE scan Homo sapiens 85.0 µM
hPDE7A1 PDE scan Homo sapiens 23.0 µM
hPDE8A1 PDE scan Homo sapiens 41.0 µM
hPDE9A PDE scan Homo sapiens 33.0 µM
hPDE10A2 PDE scan Homo sapiens 0.013 µM
hPDE11A4 PDE scan Homo sapiens 46.0 µM

Cross References

Resources Reference
ChEMBL CHEMBL2180408
DrugBank DB12657
FDA SRS P5M4972608
PubChem 51352628
SureChEMBL SCHEMBL1824885
ZINC ZINC000068268153