PF-03382792

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Synonyms
Status
Molecule Category Free-form
UNII QPE81T4KH0

Structure

InChI Key AGMOFKKOVMRGAK-UHFFFAOYSA-N
Smiles CC1(C)C(=O)N(C(=O)NCC2CCN(CC3(O)CCOCC3)CC2)c2cc(F)ccc21
InChI
InChI=1S/C23H32FN3O4/c1-22(2)18-4-3-17(24)13-19(18)27(20(22)28)21(29)25-14-16-5-9-26(10-6-16)15-23(30)7-11-31-12-8-23/h3-4,13,16,30H,5-12,14-15H2,1-2H3,(H,25,29)

Physicochemical Descriptors

Property Name Value
Molecular Formula C23H32FN3O4
Molecular Weight 433.52
AlogP 2.41
Hydrogen Bond Acceptor 5.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 4.0
Polar Surface Area 82.11
Molecular species BASE
Aromatic Rings 1.0
Heavy Atoms 31.0

Pharmacology

Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Membrane receptor Family A G protein-coupled receptor Small molecule receptor (family A GPCR) Monoamine receptor Serotonin receptor
0.8-2.15 - - 2.7-6.8 -
EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Canis lupus familiaris
- - - 4.8 -
Homo sapiens
0.8-1.3 - - 2.7-6.8 -
Macaca mulatta
- - - 8.9 -
Rattus norvegicus
1.15-2.15 - - 3.9 -

Cross References

Resources Reference
CAS NUMBER 1400811-63-3
ChEMBL CHEMBL2179582
DrugBank DB12949
FDA SRS QPE81T4KH0
PubChem 71451950
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