Details of the Drug

General Information of Drug (ID: DMSB0JA)

Drug Name

2-(4-Chloro-phenyl)-3H-imidazo[4,5-c]quinoline

Synonyms

CHEMBL316782; SCHEMBL10771178; ZINC13756970

Indication

Disease Entry	ICD 11	Status	REF
Discovery agent	N.A.	Investigative	[1]
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Drug Type

Small molecular drug

Structure

3D MOL

2D MOL

#Ro5 Violations (Lipinski): 0

Molecular Weight (mw)

279.72

Logarithm of the Partition Coefficient (xlogp)

4

Rotatable Bond Count (rotbonds)

1

Hydrogen Bond Donor Count (hbonddonor)

1

Hydrogen Bond Acceptor Count (hbondacc)

2

Chemical Identifiers

Formula: C16H10ClN3
IUPAC Name: 2-(4-chlorophenyl)-3H-imidazo[4,5-c]quinoline
Canonical SMILES: C1=CC=C2C(=C1)C3=C(C=N2)NC(=N3)C4=CC=C(C=C4)Cl
InChI: InChI=1S/C16H10ClN3/c17-11-7-5-10(6-8-11)16-19-14-9-18-13-4-2-1-3-12(13)15(14)20-16/h1-9H,(H,19,20)
InChIKey: CGBRMMMHBXSYHH-UHFFFAOYSA-N

Cross-matching ID

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
GABA(A) receptor alpha-1 (GABRA1)	TT1MPAY	GBRA1_HUMAN	Inhibitor	[1]
Gamma-aminobutyric acid receptor (GAR)	TTNJYV2	NOUNIPROTAC	Inhibitor	[1]

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Molecular Interaction Atlas (MIA)

Jump to Detail Molecular Interaction Atlas of This Drug

References

1	Synthesis and structure--activity relationships of fused imidazopyridines: a new series of benzodiazepine receptor ligands. J Med Chem. 1996 Jul 5;39(14):2844-51.