Details of the Drug

General Information of Drug (ID: DMXU8DI)

• Drug Name: US9656955, Example 351
• Synonyms: SCHEMBL16032164; BDBM308837; US9656955, Example 351; N-{(3R,4S)-4-(4-fluorophenyl)-1-[(1-methyl-1H-imidazol-4-yl)sulfonyl]pyrrolidin-3-yl}-6-(trifluoromethyl)pyridin-2-amine
• Drug Type: Small molecular drug
• #Ro5 Violations (Lipinski): 0:
  Molecular Weight (mw); 469.5
  Logarithm of the Partition Coefficient (xlogp); 3
  Rotatable Bond Count (rotbonds); 5
  Hydrogen Bond Donor Count (hbonddonor); 1
  Hydrogen Bond Acceptor Count (hbondacc); 10
• Chemical Identifiers:
  Formula: C20H19F4N5O2S
  IUPAC Name: N-[(3R,4S)-4-(4-fluorophenyl)-1-(1-methylimidazol-4-yl)sulfonylpyrrolidin-3-yl]-6-(trifluoromethyl)pyridin-2-amine
  Canonical SMILES: CN1C=C(N=C1)S(=O)(=O)N2C[C@@H]([C@H](C2)NC3=CC=CC(=N3)C(F)(F)F)C4=CC=C(C=C4)F
  InChI: InChI=1S/C20H19F4N5O2S/c1-28-11-19(25-12-28)32(30,31)29-9-15(13-5-7-14(21)8-6-13)16(10-29)26-18-4-2-3-17(27-18)20(22,23)24/h2-8,11-12,15-16H,9-10H2,1H3,(H,26,27)/t15-,16+/m1/s1
  InChIKey: QHPPCJNRRPMMDC-CVEARBPZSA-N
• Cross-matching ID:
  PubChem CID: 86295652
  TTD ID: D0V1PW

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.