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
ChEBI ID
CHEMBL481289
TTD ID
D07DQO
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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]
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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
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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.