BMS-984923

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Synonyms
Status
Molecule Category Free-form
UNII 3I1803DK5Z

Structure

InChI Key IAYVUQJOKDFLAL-NHCUHLMSSA-N
Smiles O=C1N[C@H](c2cncc(C#Cc3ccccc3)c2)[C@@H](c2ccccc2Cl)O1
InChI
InChI=1S/C22H15ClN2O2/c23-19-9-5-4-8-18(19)21-20(25-22(26)27-21)17-12-16(13-24-14-17)11-10-15-6-2-1-3-7-15/h1-9,12-14,20-21H,(H,25,26)/t20-,21-/m1/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C22H15ClN2O2
Molecular Weight 374.83
AlogP 4.66
Hydrogen Bond Acceptor 3.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 2.0
Polar Surface Area 51.22
Molecular species NEUTRAL
Aromatic Rings 3.0
Heavy Atoms 27.0

Pharmacology

Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Membrane receptor Family C G protein-coupled receptor Small molecule receptor (family C GPCR) Neurotransmitter receptor (family C GPCR) Metabotropic glutamate receptor
- - - 0.6 -
EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Homo sapiens
- - - 0.6 -

Cross References

Resources Reference
ChEMBL CHEMBL4571075
FDA SRS 3I1803DK5Z
SureChEMBL SCHEMBL4541143
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