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Ligand

NameCHEMBL3675725
Molecular formulaC28H38N6O2
IUPAC name(2S)-1-[4-[(E)-3-[4-[(2-ethyl-5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl)methyl]phenyl]prop-2-enyl]piperazin-1-yl]-3-hydroxy-2-(methylamino)propan-1-one
Molecular weight490.652
Hydrogen bond acceptor6
Hydrogen bond donor2
XlogP2.6
SynonymsSCHEMBL12802896
US8748435, 15
BDBM123490
SCHEMBL12802890
Inchi KeyACIIISFLWFQWJG-HWMYGDGXSA-N
Inchi IDInChI=1S/C28H38N6O2/c1-5-25-24(27-30-20(2)17-21(3)34(27)31-25)18-23-10-8-22(9-11-23)7-6-12-32-13-15-33(16-14-32)28(36)26(19-35)29-4/h6-11,17,26,29,35H,5,12-16,18-19H2,1-4H3/b7-6+/t26-/m0/s1
PubChem CID68379293
ChEMBLCHEMBL3675725
IUPHARN/A
BindingDB123490
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
1605G-protein coupled receptor 4P46093GPR4Homo sapiens (Human)362

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