Details of the Drug

General Information of Drug (ID: DMZF3AQ)

• Drug Name: US9695118, 4
• Synonyms: SCHEMBL16528736; BDBM77146; US9695118, 4; US9695118, 13
• Drug Type: Small molecular drug
• #Ro5 Violations (Lipinski): 0:
  Molecular Weight (mw); 484.7
  Logarithm of the Partition Coefficient (xlogp); 4.5
  Rotatable Bond Count (rotbonds); 5
  Hydrogen Bond Donor Count (hbonddonor); 1
  Hydrogen Bond Acceptor Count (hbondacc); 6
• Chemical Identifiers:
  Formula: C17H14BrClF3NO3S
  IUPAC Name: 3-bromo-N-[(5-chloro-2-ethylsulfonylphenyl)methyl]-5-(trifluoromethyl)benzamide
  Canonical SMILES: CCS(=O)(=O)C1=C(C=C(C=C1)Cl)CNC(=O)C2=CC(=CC(=C2)Br)C(F)(F)F
  InChI: InChI=1S/C17H14BrClF3NO3S/c1-2-27(25,26)15-4-3-14(19)7-11(15)9-23-16(24)10-5-12(17(20,21)22)8-13(18)6-10/h3-8H,2,9H2,1H3,(H,23,24)
  InChIKey: ZJRYMLPPVADAGI-UHFFFAOYSA-N
• Cross-matching ID:
  PubChem CID: 72195070
  TTD ID: D0ZK5P

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] Benzamide derivative. US9695118.