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Ligand

NameCHEMBL3889670
Molecular formulaC18H19ClN4O2S
IUPAC name2-(4-chlorophenyl)-2-[1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]piperidin-4-ylidene]acetonitrile
Molecular weight390.886
Hydrogen bond acceptor5
Hydrogen bond donor1
XlogP2.6
Synonyms2-(4-Chlorophenyl)-2-(1-((3,5-dimethyl-1H-pyrazol-4-yl) sulfonyl)piperidin-4-ylidene)acetonitrile
FKOOTUPWQZIUKE-UHFFFAOYSA-N
SCHEMBL16323992
Inchi KeyFKOOTUPWQZIUKE-UHFFFAOYSA-N
Inchi IDInChI=1S/C18H19ClN4O2S/c1-12-18(13(2)22-21-12)26(24,25)23-9-7-15(8-10-23)17(11-20)14-3-5-16(19)6-4-14/h3-6H,7-10H2,1-2H3,(H,21,22)
PubChem CID86343436
ChEMBLCHEMBL3889670
IUPHARN/A
BindingDBN/A
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand satisfies Lipinski's rule of five.

Known GPCRs

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Total entries: 1
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
537970Prokineticin receptor 1Q8TCW9PROKR1Homo sapiens (Human)393

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