Details of the Drug

General Information of Drug (ID: DM4I829)

• Drug Name: BDBM50080408
• Synonyms: BDBM50080408
• Drug Type: Small molecular drug
• #Ro5 Violations (Lipinski): 1:
  Molecular Weight (mw); 579.4
  Logarithm of the Partition Coefficient (xlogp); 2.2
  Rotatable Bond Count (rotbonds); 6
  Hydrogen Bond Donor Count (hbonddonor); 1
  Hydrogen Bond Acceptor Count (hbondacc); 9
• Chemical Identifiers:
  Formula: C23H23Cl2F3N4O4S
  IUPAC Name: 8-chloro-3-[(5-chloro-2-ethylsulfonylphenyl)methyl]-7-(piperazin-1-ylmethyl)-6-(trifluoromethyl)-8H-quinazoline-2,4-dione
  Canonical SMILES: CCS(=O)(=O)C1=C(C=C(C=C1)Cl)CN2C(=O)C3=CC(=C(C(C3=NC2=O)Cl)CN4CCNCC4)C(F)(F)F
  InChI: InChI=1S/C23H23Cl2F3N4O4S/c1-2-37(35,36)18-4-3-14(24)9-13(18)11-32-21(33)15-10-17(23(26,27)28)16(12-31-7-5-29-6-8-31)19(25)20(15)30-22(32)34/h3-4,9-10,19,29H,2,5-8,11-12H2,1H3
  InChIKey: MFENBMQVIBVYSX-UHFFFAOYSA-N
• Cross-matching ID:
  PubChem CID: 118988040
  TTD ID: D0Y3FD

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Epithelial discoidin domain receptor 1 (DDR1)	TTI1FPZ	DDR1_HUMAN	Inhibitor	[1]

References

• [1] Quinazolinedione derivative. US9567304.