Details of the Drug

General Information of Drug (ID: DMVF6OQ)

• Drug Name: 3-Imidazol-1-yl-quinoline
• Synonyms: 3-Imidazol-1-yl-quinoline; MLS003269485; SCHEMBL4514468; CHEMBL193556; BDBM8919; 3-(1h-imidazol-1-yl)quinoline; 3-(1H-Imidazole-1-yl)quinoline; Imidazole-substituted quinoline 26; ZINC13674486; Quinoline, 3-(1H-imidazol-1-yl)-; 63822-85-5

Indication

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

• Drug Type: Small molecular drug
• #Ro5 Violations (Lipinski): 0:
  Molecular Weight (mw); 195.22
  Logarithm of the Partition Coefficient (xlogp); 1.9
  Rotatable Bond Count (rotbonds); 1
  Hydrogen Bond Donor Count (hbonddonor); 0
  Hydrogen Bond Acceptor Count (hbondacc); 2
• Chemical Identifiers:
  Formula: C12H9N3
  IUPAC Name: 3-imidazol-1-ylquinoline
  Canonical SMILES: C1=CC=C2C(=C1)C=C(C=N2)N3C=CN=C3
  InChI: InChI=1S/C12H9N3/c1-2-4-12-10(3-1)7-11(8-14-12)15-6-5-13-9-15/h1-9H
  InChIKey: SRUVTPIFNUPTIR-UHFFFAOYSA-N
• Cross-matching ID:
  PubChem CID: 12354256
  TTD ID: D07JCO

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Steroid 11-beta-hydroxylase (CYP11B1)	TTIQUX7	C11B1_HUMAN	Inhibitor	[1]

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
Steroid 11-beta-hydroxylase (CYP11B1)	DTT	CYP11B1	4.31E-04	-0.03	-0.13

References

• [1] Heteroaryl-substituted naphthalenes and structurally modified derivatives: selective inhibitors of CYP11B2 for the treatment of congestive heart fa... J Med Chem. 2005 Oct 20;48(21):6632-42.