Details of the Drug

General Information of Drug (ID: DMLZDAK)

• Drug Name: ZINC19658740
• Synonyms: SCHEMBL15548184; CHEMBL3448261; LSJGWMPNBWLCRK-UHFFFAOYSA-N; BDBM250597; ZINC19658740; AKOS030474436; US9475795, 76; 1-((3,5-Dimethyl-1H-pyrazol-4-yl)sulfonyl)-4-(2-fluorophenoxyl)piperidine; 1-((3,5-Dimethyl-1H-pyrazol-4-yl)sulfonyl)-4-(2-fluorophenoxy)piperidine
• Drug Type: Small molecular drug
• #Ro5 Violations (Lipinski): 0:
  Molecular Weight (mw); 353.4
  Logarithm of the Partition Coefficient (xlogp); 2.5
  Rotatable Bond Count (rotbonds); 4
  Hydrogen Bond Donor Count (hbonddonor); 1
  Hydrogen Bond Acceptor Count (hbondacc); 6
• Chemical Identifiers:
  Formula: C16H20FN3O3S
  IUPAC Name: 1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-4-(2-fluorophenoxy)piperidine
  Canonical SMILES: CC1=C(C(=NN1)C)S(=O)(=O)N2CCC(CC2)OC3=CC=CC=C3F
  InChI: InChI=1S/C16H20FN3O3S/c1-11-16(12(2)19-18-11)24(21,22)20-9-7-13(8-10-20)23-15-6-4-3-5-14(15)17/h3-6,13H,7-10H2,1-2H3,(H,18,19)
  InChIKey: LSJGWMPNBWLCRK-UHFFFAOYSA-N
• Cross-matching ID:
  PubChem CID: 46981204
  TTD ID: D04LJF

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. US10167273.