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Ligand

NameCHEMBL3981069
Molecular formulaC18H20Cl2N4O2S
IUPAC name4-[(2,4-dichlorophenyl)methyl]-1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]piperidine-4-carbonitrile
Molecular weight427.344
Hydrogen bond acceptor5
Hydrogen bond donor1
XlogP3.4
SynonymsSCHEMBL15548896
4-(2,4-Dichlorobenzyl)-1-((3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl)piperidine-4-carbonitrile
CQPUJVNWYRAUIJ-UHFFFAOYSA-N
Inchi KeyCQPUJVNWYRAUIJ-UHFFFAOYSA-N
Inchi IDInChI=1S/C18H20Cl2N4O2S/c1-12-17(13(2)23-22-12)27(25,26)24-7-5-18(11-21,6-8-24)10-14-3-4-15(19)9-16(14)20/h3-4,9H,5-8,10H2,1-2H3,(H,22,23)
PubChem CID72550667
ChEMBLCHEMBL3981069
IUPHARN/A
BindingDB250586
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
534126Prokineticin receptor 1Q8TCW9PROKR1Homo sapiens (Human)393

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