Details of the Drug

General Information of Drug (ID: DMHNYQU)

• Drug Name: BDBM50011553
• Synonyms: CHEMBL3262572; SCHEMBL15587284; BDBM50011553
• Drug Type: Small molecular drug
• #Ro5 Violations (Lipinski): 0:
  Molecular Weight (mw); 251.28
  Logarithm of the Partition Coefficient (xlogp); 2.8
  Rotatable Bond Count (rotbonds); 2
  Hydrogen Bond Donor Count (hbonddonor); 1
  Hydrogen Bond Acceptor Count (hbondacc); 4
• Chemical Identifiers:
  Formula: C15H13N3O
  IUPAC Name: 6-(3-methoxyphenyl)quinazolin-4-amine
  Canonical SMILES: COC1=CC=CC(=C1)C2=CC3=C(C=C2)N=CN=C3N
  InChI: InChI=1S/C15H13N3O/c1-19-12-4-2-3-10(7-12)11-5-6-14-13(8-11)15(16)18-9-17-14/h2-9H,1H3,(H2,16,17,18)
  InChIKey: HAFNABUNLVCDOP-UHFFFAOYSA-N
• Cross-matching ID:
  PubChem CID: 90054634
  TTD ID: D00SDR

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
MEK kinase kinase 4 (MAP4K4)	TT6NI13	M4K4_HUMAN	Inhibitor	[1]

References

• [1] Aminoquinazoline and pyridopyrimidine derivatives. US9592235.