Details of the Drug

General Information of Drug (ID: DMW5SD6)

• Drug Name: BDBM50011552
• Synonyms: CHEMBL3262571; SCHEMBL15587269; BDBM50011552
• 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-(2-methoxyphenyl)quinazolin-4-amine
  Canonical SMILES: COC1=CC=CC=C1C2=CC3=C(C=C2)N=CN=C3N
  InChI: InChI=1S/C15H13N3O/c1-19-14-5-3-2-4-11(14)10-6-7-13-12(8-10)15(16)18-9-17-13/h2-9H,1H3,(H2,16,17,18)
  InChIKey: CUSAKFRCIPMPMS-UHFFFAOYSA-N
• Cross-matching ID:
  PubChem CID: 90054621
  TTD ID: D0L2FW

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.