Details of the Drug

General Information of Drug (ID: DM3NE8J)

• Drug Name: US9206139, 4
• Synonyms: CHEMBL3955404; SCHEMBL15692527; BDBM194645; US9206139, 4
• Drug Type: Small molecular drug
• #Ro5 Violations (Lipinski): 0:
  Molecular Weight (mw); 411.4
  Logarithm of the Partition Coefficient (xlogp); 3.6
  Rotatable Bond Count (rotbonds); 7
  Hydrogen Bond Donor Count (hbonddonor); 3
  Hydrogen Bond Acceptor Count (hbondacc); 6
• Chemical Identifiers:
  Formula: C20H24F3N3O3
  IUPAC Name: (2S)-N-[[(4R)-4-cyclopropyl-2,5-dioxoimidazolidin-4-yl]methyl]-3-methyl-2-[[4-(trifluoromethyl)phenyl]methyl]butanamide
  Canonical SMILES: CC(C)[C@H](CC1=CC=C(C=C1)C(F)(F)F)C(=O)NC[C@@]2(C(=O)NC(=O)N2)C3CC3
  InChI: InChI=1S/C20H24F3N3O3/c1-11(2)15(9-12-3-5-14(6-4-12)20(21,22)23)16(27)24-10-19(13-7-8-13)17(28)25-18(29)26-19/h3-6,11,13,15H,7-10H2,1-2H3,(H,24,27)(H2,25,26,28,29)/t15-,19-/m0/s1
  InChIKey: VXXYNKXMRXANKX-KXBFYZLASA-N
• Cross-matching ID:
  PubChem CID: 74221131
  TTD ID: D0N6ZA

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.