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Ligand

NameCHEMBL3670930
Molecular formulaC29H38N4O3
IUPAC nametert-butyl 4-[(E)-2-[4-[(2-ethyl-5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl)methyl]phenyl]ethenyl]-4-hydroxypiperidine-1-carboxylate
Molecular weight490.648
Hydrogen bond acceptor5
Hydrogen bond donor1
XlogP4.9
SynonymsUS8748435, 1
BDBM123476
SCHEMBL12802480
Inchi KeyAQGKSOBZBXOUSV-OUKQBFOZSA-N
Inchi IDInChI=1S/C29H38N4O3/c1-7-25-24(26-30-20(2)18-21(3)33(26)31-25)19-23-10-8-22(9-11-23)12-13-29(35)14-16-32(17-15-29)27(34)36-28(4,5)6/h8-13,18,35H,7,14-17,19H2,1-6H3/b13-12+
PubChem CID68379060
ChEMBLCHEMBL3670930
IUPHARN/A
BindingDB123476
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
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GLASS IDNameUniProtGeneSpeciesLength
11667G-protein coupled receptor 4P46093GPR4Homo sapiens (Human)362

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