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Ligand

NameCHEMBL3670931
Molecular formulaC28H36N4O3
IUPAC nametert-butyl 3-[(E)-3-[4-[(2-ethyl-5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl)methyl]phenyl]prop-2-enyl]-3-hydroxyazetidine-1-carboxylate
Molecular weight476.621
Hydrogen bond acceptor5
Hydrogen bond donor1
XlogP4.6
SynonymsUS8748435, 2
BDBM123477
SCHEMBL12802724
SCHEMBL12802728
Inchi KeyIEQJKNPISFJISW-CMDGGOBGSA-N
Inchi IDInChI=1S/C28H36N4O3/c1-7-24-23(25-29-19(2)15-20(3)32(25)30-24)16-22-12-10-21(11-13-22)9-8-14-28(34)17-31(18-28)26(33)35-27(4,5)6/h8-13,15,34H,7,14,16-18H2,1-6H3/b9-8+
PubChem CID68379203
ChEMBLCHEMBL3670931
IUPHARN/A
BindingDB123477
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
131447G-protein coupled receptor 4P46093GPR4Homo sapiens (Human)362

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