Details of the Drug

General Information of Drug (ID: DMN4FRE)

• Drug Name: US8772478, 3
• Synonyms: SCHEMBL998690; CHEMBL3643910; BDBM125919; US8772478, 3
• Drug Type: Small molecular drug
• #Ro5 Violations (Lipinski): 0:
  Molecular Weight (mw); 451.5
  Logarithm of the Partition Coefficient (xlogp); 2.2
  Rotatable Bond Count (rotbonds); 9
  Hydrogen Bond Donor Count (hbonddonor); 3
  Hydrogen Bond Acceptor Count (hbondacc); 8
• Chemical Identifiers:
  Formula: C21H26FN3O5S
  IUPAC Name: (2S)-3-[[4-[(4-fluorophenyl)methoxy]phenyl]sulfonylamino]-N-hydroxy-2-piperidin-1-ylpropanamide
  Canonical SMILES: C1CCN(CC1)[C@@H](CNS(=O)(=O)C2=CC=C(C=C2)OCC3=CC=C(C=C3)F)C(=O)NO
  InChI: InChI=1S/C21H26FN3O5S/c22-17-6-4-16(5-7-17)15-30-18-8-10-19(11-9-18)31(28,29)23-14-20(21(26)24-27)25-12-2-1-3-13-25/h4-11,20,23,27H,1-3,12-15H2,(H,24,26)/t20-/m0/s1
  InChIKey: PDOPZKWZZGOMJC-FQEVSTJZSA-N
• Cross-matching ID:
  PubChem CID: 49854406
  TTD ID: D0NW8W

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
ADAM metallopeptidase 33 (ADAM33)	TTQICM2	ADA33_HUMAN	Inhibitor	[1]

References

• [1] Benzenesulfonamide compounds, method for synthesizing same, and use thereof in medicine as well as in cosmetics. US8772478.