Details of the Drug

General Information of Drug (ID: DM0ZDL3)

• Drug Name: US9475795, 80
• Synonyms: SCHEMBL15548679; CHEMBL3891242; RXIULEDXXPGKEE-UHFFFAOYSA-N; BDBM250601; US9475795, 80; 4-(4-Chloro-2-fluorobenzyl)-1-((3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl)-4-fluoropiperidine
• Drug Type: Small molecular drug
• #Ro5 Violations (Lipinski): 0:
  Molecular Weight (mw); 403.9
  Logarithm of the Partition Coefficient (xlogp); 3.6
  Rotatable Bond Count (rotbonds); 4
  Hydrogen Bond Donor Count (hbonddonor); 1
  Hydrogen Bond Acceptor Count (hbondacc); 6
• Chemical Identifiers:
  Formula: C17H20ClF2N3O2S
  IUPAC Name: 4-[(4-chloro-2-fluorophenyl)methyl]-1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-4-fluoropiperidine
  Canonical SMILES: CC1=C(C(=NN1)C)S(=O)(=O)N2CCC(CC2)(CC3=C(C=C(C=C3)Cl)F)F
  InChI: InChI=1S/C17H20ClF2N3O2S/c1-11-16(12(2)22-21-11)26(24,25)23-7-5-17(20,6-8-23)10-13-3-4-14(18)9-15(13)19/h3-4,9H,5-8,10H2,1-2H3,(H,21,22)
  InChIKey: RXIULEDXXPGKEE-UHFFFAOYSA-N
• Cross-matching ID:
  PubChem CID: 72550891
  TTD ID: D00LHT

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Prokineticin receptor-1 (PROKR1)	TTB9CIL	PKR1_HUMAN	Inhibitor	[1]

References

• [1] Sulfonyl piperidine derivatives and their use for treating prokineticin mediated diseases. US9475795.