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Ligand

NameCHEMBL3670935
Molecular formulaC28H38N4O3
IUPAC name(2R)-3-[4-[(E)-3-[4-[(2-ethyl-5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl)methyl]phenyl]prop-2-enyl]-4-hydroxypiperidin-1-yl]propane-1,2-diol
Molecular weight478.637
Hydrogen bond acceptor6
Hydrogen bond donor3
XlogP3.2
SynonymsUS8748435, 6
BDBM123481
SCHEMBL12803056
SCHEMBL12803060
Inchi KeyUNCNIMAKVCFORU-QQHIZMLBSA-N
Inchi IDInChI=1S/C28H38N4O3/c1-4-26-25(27-29-20(2)16-21(3)32(27)30-26)17-23-9-7-22(8-10-23)6-5-11-28(35)12-14-31(15-13-28)18-24(34)19-33/h5-10,16,24,33-35H,4,11-15,17-19H2,1-3H3/b6-5+/t24-/m1/s1
PubChem CID68379380
ChEMBLCHEMBL3670935
IUPHARN/A
BindingDB123481
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
340768G-protein coupled receptor 4P46093GPR4Homo sapiens (Human)362

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