General Information of Drug (ID: DMGPDEF)

Drug Name
US9475795, 19
Synonyms CHEMBL3891428; SCHEMBL15549092; UOPFZPMEKNDBSU-UHFFFAOYSA-N; BDBM250540; US9475795, 19; 4-Phenoxy-1-[(1,3,5-trimethyl-1H-pyrazol-4-yl)sulfonyl]piperidine
Drug Type
Small molecular drug
Structure
3D MOL 2D MOL
#Ro5 Violations (Lipinski): 0 Molecular Weight (mw) 349.4
Logarithm of the Partition Coefficient (xlogp) 2.4
Rotatable Bond Count (rotbonds) 4
Hydrogen Bond Donor Count (hbonddonor) 0
Hydrogen Bond Acceptor Count (hbondacc) 5
Chemical Identifiers
Formula
C17H23N3O3S
IUPAC Name
4-phenoxy-1-(1,3,5-trimethylpyrazol-4-yl)sulfonylpiperidine
Canonical SMILES
CC1=C(C(=NN1C)C)S(=O)(=O)N2CCC(CC2)OC3=CC=CC=C3
InChI
InChI=1S/C17H23N3O3S/c1-13-17(14(2)19(3)18-13)24(21,22)20-11-9-16(10-12-20)23-15-7-5-4-6-8-15/h4-8,16H,9-12H2,1-3H3
InChIKey
UOPFZPMEKNDBSU-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
72549319
TTD ID
D0X1ZY

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]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

References

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