Details of the Drug

General Information of Drug (ID: DM2E5OX)

Drug Name
N-(6-phenoxypyridin-3-yl)-1H-indole-3-carboxamide
Synonyms CHEMBL481289; N-(6-phenoxypyridin-3-yl)-1H-indole-3-carboxamide; SCHEMBL4239343; KBQZTNRCKHEJQM-UHFFFAOYSA-N; BDBM50251685; 1h-indole-3-carboxylic acid(6-phenoxy-pyridine-3-yl)-amide
Indication
Disease Entry ICD 11 Status REF
Discovery agent N.A. Investigative [1]
Drug Type
Small molecular drug
Structure
3D MOL 2D MOL
#Ro5 Violations (Lipinski): 0 Molecular Weight (mw) 329.4
Logarithm of the Partition Coefficient (xlogp) 3.7
Rotatable Bond Count (rotbonds) 4
Hydrogen Bond Donor Count (hbonddonor) 2
Hydrogen Bond Acceptor Count (hbondacc) 3
Chemical Identifiers
Formula
C20H15N3O2
IUPAC Name
N-(6-phenoxypyridin-3-yl)-1H-indole-3-carboxamide
Canonical SMILES
C1=CC=C(C=C1)OC2=NC=C(C=C2)NC(=O)C3=CNC4=CC=CC=C43
InChI
InChI=1S/C20H15N3O2/c24-20(17-13-21-18-9-5-4-8-16(17)18)23-14-10-11-19(22-12-14)25-15-6-2-1-3-7-15/h1-13,21H,(H,23,24)
InChIKey
KBQZTNRCKHEJQM-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
44250365
TTD ID
D07DQO

Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
5-HT 2C receptor (HTR2C) TTWJBZ5 5HT2C_HUMAN Inhibitor [1]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

Molecular Expression Atlas of This Drug

The Studied Disease Discovery agent
ICD Disease Classification N.A.
Molecule Name Molecule Type Gene Name p-value Fold-Change Z-score
5-HT 2C receptor (HTR2C) DTT HTR2C 1.02E-02 -0.45 -0.37
5-HT 2C receptor (HTR2C) DTT HTR2C 2.27E-01 0.27 0.6
Molecular Expression Atlas (MEA) Jump to Detail Molecular Expression Atlas of This Drug

References

1 Synthesis and structure-activity relationship of 1H-indole-3-carboxylic acid pyridine-3-ylamides: a novel series of 5-HT2C receptor antagonists. Bioorg Med Chem Lett. 2008 Jul 15;18(14):3844-7.