(5-AMINO-1H-INDOL-2-YL)-(4-METHYLPIPERAZIN-1-YL)METHANONE

/static/temp/default.svg Search structure
Molecule Category Free-form
Source Gaulton A, Kale N, van Westen GJ, Bellis LJ, Bento AP, Davies M, Hersey A, Papadatos G, Forster M, Wege P, Overington JP. A large-scale crop protection bioassay data set. Sci Data. 2015 Jul 7;2:150032. Read more ...

Structure

InChI Key ZSDMEHVZVQRYNG-UHFFFAOYSA-N
Smiles CN1CCN(CC1)C(=O)c2cc3cc(N)ccc3[nH]2
InChI
InChI=1S/C14H18N4O/c1-17-4-6-18(7-5-17)14(19)13-9-10-8-11(15)2-3-12(10)16-13/h2-3,8-9,16H,4-7,15H2,1H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C14H18N4O
Molecular Weight 258.32
AlogP 1.04
Hydrogen Bond Acceptor 3.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 1.0
Polar Surface Area 65.36
Molecular species NEUTRAL
Aromatic Rings 2.0
Heavy Atoms 19.0

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 Histamine receptor
- - - 15-14996848.36 -
EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Homo sapiens
- - - 15-14996848.36 -

Cross References

Resources Reference
ChEMBL CHEMBL340740
PubChem 10988959
SureChEMBL SCHEMBL6141960
CONTENTS