Details of the Drug

General Information of Drug (ID: DMM2N4T)

• Drug Name: 1607004-34-1
• Synonyms: ADAMTS Inhibitor C7; SCHEMBL15692551; CHEMBL3980860; BDBM194644; 1607004-34-1; US9206139, 3
• Drug Type: Small molecular drug
• #Ro5 Violations (Lipinski): 0:
  Molecular Weight (mw); 409.4
  Logarithm of the Partition Coefficient (xlogp); 3.3
  Rotatable Bond Count (rotbonds); 7
  Hydrogen Bond Donor Count (hbonddonor); 3
  Hydrogen Bond Acceptor Count (hbondacc); 6
• Chemical Identifiers:
  Formula: C20H22F3N3O3
  IUPAC Name: (2S)-2-cyclopropyl-N-[[(4R)-4-cyclopropyl-2,5-dioxoimidazolidin-4-yl]methyl]-3-[4-(trifluoromethyl)phenyl]propanamide
  Canonical SMILES: C1CC1[C@H](CC2=CC=C(C=C2)C(F)(F)F)C(=O)NC[C@@]3(C(=O)NC(=O)N3)C4CC4
  InChI: InChI=1S/C20H22F3N3O3/c21-20(22,23)14-5-1-11(2-6-14)9-15(12-3-4-12)16(27)24-10-19(13-7-8-13)17(28)25-18(29)26-19/h1-2,5-6,12-13,15H,3-4,7-10H2,(H,24,27)(H2,25,26,28,29)/t15-,19-/m0/s1
  InChIKey: JHOUEQAOHDTLPY-KXBFYZLASA-N
• Cross-matching ID:
  PubChem CID: 74221072
  TTD ID: D0G1LL

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.