Details of the Drug

General Information of Drug (ID: DMB4JS7)

• Drug Name: US9206139, 5
• Synonyms: SCHEMBL15692518; CHEMBL3972836; BDBM194646; US9206139, 5
• Drug Type: Small molecular drug
• #Ro5 Violations (Lipinski): 0:
  Molecular Weight (mw); 397.4
  Logarithm of the Partition Coefficient (xlogp); 3.1
  Rotatable Bond Count (rotbonds); 6
  Hydrogen Bond Donor Count (hbonddonor); 3
  Hydrogen Bond Acceptor Count (hbondacc); 6
• Chemical Identifiers:
  Formula: C19H22F3N3O3
  IUPAC Name: N-[[(4R)-4-cyclopropyl-2,5-dioxoimidazolidin-4-yl]methyl]-2,2-dimethyl-3-[4-(trifluoromethyl)phenyl]propanamide
  Canonical SMILES: CC(C)(CC1=CC=C(C=C1)C(F)(F)F)C(=O)NC[C@@]2(C(=O)NC(=O)N2)C3CC3
  InChI: InChI=1S/C19H22F3N3O3/c1-17(2,9-11-3-5-13(6-4-11)19(20,21)22)14(26)23-10-18(12-7-8-12)15(27)24-16(28)25-18/h3-6,12H,7-10H2,1-2H3,(H,23,26)(H2,24,25,27,28)/t18-/m0/s1
  InChIKey: FJEJHTFPLBTMLO-SFHVURJKSA-N
• Cross-matching ID:
  PubChem CID: 74221070
  TTD ID: D0UM5R

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Aggrecanase-1 (ADAMTS4)	TTYG6BU	ATS4_HUMAN	Inhibitor	[1]

References

• [1] Aggrecanase inhibitors. US9206139.