Details of the Drug

General Information of Drug (ID: DM0A3DB)

• Drug Name: 6-bromo-N-(3-chlorophenyl)quinazolin-4-amine
• Synonyms: 6-bromo-N-(3-chlorophenyl)quinazolin-4-amine; CHEMBL1079374; AC1LEZQW; C14H9BrClN3; ChemDiv1_028574; Oprea1_590274; Neuro1_000364; MLS000572427; cid_720635; SCHEMBL4783154; HMS668C18; MolPort-000-660-268; ZINC122236; HMS2493B23; BDBM50311887; STK965864; AKOS002348868; MCULE-5418328745; SMR000194385; EU-0077259; ST50477345; 6-bromo-N-(3-chlorophenyl)-4-quinazolinamine; (6-bromoquinazolin-4-yl)(3-chlorophenyl)amine; SR-01000485096; SR-01000485096-1

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); 334.6
  Logarithm of the Partition Coefficient (xlogp); 4.7
  Rotatable Bond Count (rotbonds); 2
  Hydrogen Bond Donor Count (hbonddonor); 1
  Hydrogen Bond Acceptor Count (hbondacc); 3
• Chemical Identifiers:
  Formula: C14H9BrClN3
  IUPAC Name: 6-bromo-N-(3-chlorophenyl)quinazolin-4-amine
  Canonical SMILES: C1=CC(=CC(=C1)Cl)NC2=NC=NC3=C2C=C(C=C3)Br
  InChI: InChI=1S/C14H9BrClN3/c15-9-4-5-13-12(6-9)14(18-8-17-13)19-11-3-1-2-10(16)7-11/h1-8H,(H,17,18,19)
  InChIKey: LYKXFKUSOXETGV-UHFFFAOYSA-N
• Cross-matching ID:
  PubChem CID: 720635
  TTD ID: D02FMR

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Metabotropic glutamate receptor 1 (mGluR1)	TTVBPDM	GRM1_HUMAN	Inhibitor	[1]
Metabotropic glutamate receptor 5 (mGluR5)	TTHS256	GRM5_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
Metabotropic glutamate receptor 5 (mGluR5)	DTT	GRM5	9.81E-07	-0.26	-0.54

References

• [1] Discovery and SAR of 6-substituted-4-anilinoquinazolines as non-competitive antagonists of mGlu5. Bioorg Med Chem Lett. 2009 Dec 1;19(23):6623-6.