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Ligand

NameCHEMBL3967729
Molecular formulaC21H28ClN3O4S
IUPAC nameethyl 4-[(4-chlorophenyl)methyl]-1-(1,3,5-trimethylpyrazol-4-yl)sulfonylpiperidine-4-carboxylate
Molecular weight453.982
Hydrogen bond acceptor6
Hydrogen bond donor0
XlogP3.3
SynonymsUS9475795, 61
INLJEVYIEFJKCG-UHFFFAOYSA-N
SCHEMBL15548806
BDBM250582
Ethyl 4-(4-chlorobenzyl)-1-((1,3,5-trimethyl-1H-pyrazol-4-yl)sulfonyl)piperidine-4-carboxylate
Inchi KeyINLJEVYIEFJKCG-UHFFFAOYSA-N
Inchi IDInChI=1S/C21H28ClN3O4S/c1-5-29-20(26)21(14-17-6-8-18(22)9-7-17)10-12-25(13-11-21)30(27,28)19-15(2)23-24(4)16(19)3/h6-9H,5,10-14H2,1-4H3
PubChem CID72550447
ChEMBLCHEMBL3967729
IUPHARN/A
BindingDB250582
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
534511Prokineticin receptor 1Q8TCW9PROKR1Homo sapiens (Human)393

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