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Ligand

NameCHEMBL3675731
Molecular formulaC28H37N5O3
IUPAC name[4-[[4-[(2-ethyl-5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl)methyl]phenoxy]methyl]piperidin-1-yl]-[(2S,3R)-3-hydroxypyrrolidin-2-yl]methanone
Molecular weight491.636
Hydrogen bond acceptor6
Hydrogen bond donor2
XlogP3.8
SynonymsUS8748435, 22
BDBM123497
SCHEMBL12802955
Inchi KeyOWWFLJIGZBQIJT-FTJBHMTQSA-N
Inchi IDInChI=1S/C28H37N5O3/c1-4-24-23(27-30-18(2)15-19(3)33(27)31-24)16-20-5-7-22(8-6-20)36-17-21-10-13-32(14-11-21)28(35)26-25(34)9-12-29-26/h5-8,15,21,25-26,29,34H,4,9-14,16-17H2,1-3H3/t25-,26+/m1/s1
PubChem CID68379327
ChEMBLCHEMBL3675731
IUPHARN/A
BindingDB123497
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
252203G-protein coupled receptor 4P46093GPR4Homo sapiens (Human)362

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