Details of the Drug

General Information of Drug (ID: DMPF598)

Drug Name

2-Thiophen-2-yl-3H-imidazo[4,5-c]quinoline

Synonyms

CHEMBL319249; ZINC13756973

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)

251.31

Logarithm of the Partition Coefficient (xlogp)

3.1

Rotatable Bond Count (rotbonds)

1

Hydrogen Bond Donor Count (hbonddonor)

1

Hydrogen Bond Acceptor Count (hbondacc)

3

Chemical Identifiers

Formula: C14H9N3S
IUPAC Name: 2-thiophen-2-yl-3H-imidazo[4,5-c]quinoline
Canonical SMILES: C1=CC=C2C(=C1)C3=C(C=N2)NC(=N3)C4=CC=CS4
InChI: InChI=1S/C14H9N3S/c1-2-5-10-9(4-1)13-11(8-15-10)16-14(17-13)12-6-3-7-18-12/h1-8H,(H,16,17)
InChIKey: APVZAVOHLAQECW-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]
GABA(A) receptor beta-2 (GABRB2)	TTZA1NY	GBRB2_HUMAN	Inhibitor	[1]
GABA(A) receptor gamma-2 (GABRG2)	TT06RH5	GBRG2_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.