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Ligand

NameMLS000731975
Molecular formulaC24H31N3O2
IUPAC nameethyl 4-(cyclopropylmethyl)-1-[[2-(2-methylphenyl)pyrimidin-5-yl]methyl]piperidine-4-carboxylate
Molecular weight393.531
Hydrogen bond acceptor5
Hydrogen bond donor0
XlogP4.1
Synonymscid_16191646
4-(cyclopropylmethyl)-1-[[2-(o-tolyl)pyrimidin-5-yl]methyl]isonipecotic acid ethyl ester
HMS2683J23
SMR000319141
ethyl 4-(cyclopropylmethyl)-1-[[2-(2-methylphenyl)pyrimidin-5-yl]methyl]piperidine-4-carboxylate
[ Show all ]
Inchi KeyAVQYMSDSZMZIHU-UHFFFAOYSA-N
Inchi IDInChI=1S/C24H31N3O2/c1-3-29-23(28)24(14-19-8-9-19)10-12-27(13-11-24)17-20-15-25-22(26-16-20)21-7-5-4-6-18(21)2/h4-7,15-16,19H,3,8-14,17H2,1-2H3
PubChem CID16191646
ChEMBLCHEMBL1720300
IUPHARN/A
BindingDB83357
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: 5
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
155615-hydroxytryptamine receptor 5AP47898HTR5AHomo sapiens (Human)357
15562Delta-type opioid receptorP41143OPRD1Homo sapiens (Human)372
15564Glucagon-like peptide 1 receptorP43220GLP1RHomo sapiens (Human)463
15563Mu-type opioid receptorP35372OPRM1Homo sapiens (Human)400
464784Parathyroid hormone/parathyroid hormone-related peptide receptorQ03431PTH1RHomo sapiens (Human)593

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