Details of the Drug

General Information of Drug (ID: DMKS7D9)

• Drug Name: US9656955, Example 652
• Synonyms: SCHEMBL16031609; BDBM309130; US9656955, Example 652; (3R,4S)-4-(4-fluorophenyl)-N-[4-fluoro-3-(trifluoromethyl)phenyl]-1-[(1-methyl-1H-imidazol-4-yl)sulfonyl]pyrrolidin-3-amine
• Drug Type: Small molecular drug
• #Ro5 Violations (Lipinski): 0:
  Molecular Weight (mw); 486.5
  Logarithm of the Partition Coefficient (xlogp); 3.8
  Rotatable Bond Count (rotbonds); 5
  Hydrogen Bond Donor Count (hbonddonor); 1
  Hydrogen Bond Acceptor Count (hbondacc); 10
• Chemical Identifiers:
  Formula: C21H19F5N4O2S
  IUPAC Name: (3R,4S)-4-(4-fluorophenyl)-N-[4-fluoro-3-(trifluoromethyl)phenyl]-1-(1-methylimidazol-4-yl)sulfonylpyrrolidin-3-amine
  Canonical SMILES: CN1C=C(N=C1)S(=O)(=O)N2C[C@@H]([C@H](C2)NC3=CC(=C(C=C3)F)C(F)(F)F)C4=CC=C(C=C4)F
  InChI: InChI=1S/C21H19F5N4O2S/c1-29-11-20(27-12-29)33(31,32)30-9-16(13-2-4-14(22)5-3-13)19(10-30)28-15-6-7-18(23)17(8-15)21(24,25)26/h2-8,11-12,16,19,28H,9-10H2,1H3/t16-,19+/m1/s1
  InChIKey: QHYIYIVWHBQJLT-APWZRJJASA-N
• Cross-matching ID:
  PubChem CID: 86295441
  TTD ID: D01DYO

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
N-acetylglucosaminyltransferase I (NAGAT1)	TTYJRN5	MGAT1_HUMAN	Inhibitor	[1]

References

• [1] Pyrrolidine derivatives, pharmaceutical compositions containing them, and their use in therapy. US9656955.