Details of the Drug

General Information of Drug (ID: DM61VJO)

• Drug Name: 8-chloro-3,4-dihydroquinazolin-2-amine
• Synonyms: CHEMBL272752

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); 181.62
  Logarithm of the Partition Coefficient (xlogp); 0.8
  Rotatable Bond Count (rotbonds); 0
  Hydrogen Bond Donor Count (hbonddonor); 2
  Hydrogen Bond Acceptor Count (hbondacc); 1
• Chemical Identifiers:
  Formula: C8H8ClN3
  IUPAC Name: 8-chloro-1,4-dihydroquinazolin-2-amine
  Canonical SMILES: C1C2=C(C(=CC=C2)Cl)NC(=N1)N
  InChI: InChI=1S/C8H8ClN3/c9-6-3-1-2-5-4-11-8(10)12-7(5)6/h1-3H,4H2,(H3,10,11,12)
  InChIKey: AWSSYPVAGZEEAA-UHFFFAOYSA-N
• Cross-matching ID:
  PubChem CID: 44456244
  TTD ID: D0C3AR

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
5-HT 5A receptor (HTR5A)	TTRUFDT	5HT5A_HUMAN	Inhibitor	[1]

References

• [1] Cyclic guanidines as dual 5-HT5A/5-HT7 receptor ligands: structure-activity relationship elucidation. Bioorg Med Chem Lett. 2008 Jan 1;18(1):256-61.