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Ligand

NameMLS000734475
Molecular formulaC22H30ClN3O2
IUPAC nameethyl 4-[(4-chlorophenyl)methyl]-1-(4-pyrazol-1-ylbutan-2-yl)piperidine-4-carboxylate
Molecular weight403.951
Hydrogen bond acceptor4
Hydrogen bond donor0
XlogP4.1
SynonymsMCULE-7046165253
SMR000319248
ethyl 4-(4-chlorobenzyl)-1-[1-methyl-3-(1H-pyrazol-1-yl)propyl]piperidine-4-carboxylate
CHEMBL1872670
HMS2675B21
[ Show all ]
Inchi KeyDCJXDQFEKZGDHZ-UHFFFAOYSA-N
Inchi IDInChI=1S/C22H30ClN3O2/c1-3-28-21(27)22(17-19-5-7-20(23)8-6-19)10-15-25(16-11-22)18(2)9-14-26-13-4-12-24-26/h4-8,12-13,18H,3,9-11,14-17H2,1-2H3
PubChem CID16188620
ChEMBLCHEMBL1872670
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: 3
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
564245-hydroxytryptamine receptor 2AP35363Htr2aMus musculus (Mouse)471
56426Glucagon-like peptide 1 receptorP43220GLP1RHomo sapiens (Human)463
56425Mu-type opioid receptorP35372OPRM1Homo sapiens (Human)400

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