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Ligand

NameCHEMBL3670932
Molecular formulaC25H32N4O
IUPAC name4-[(E)-3-[4-[(2-ethyl-5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl)methyl]phenyl]prop-2-enyl]piperidin-4-ol
Molecular weight404.558
Hydrogen bond acceptor4
Hydrogen bond donor2
XlogP4.0
SynonymsSCHEMBL12802589
4-{(E)-3-[4-(2-Ethyl-5,7-dimethyl-pyrazolo[1,5-a]pyrimidin-3-ylmethyl)-phenyl]-allyl}-piperidin-4-ol
SCHEMBL12802593
BDBM123478
US8748435, 3
[ Show all ]
Inchi KeyCBCJTISJWHFCOC-AATRIKPKSA-N
Inchi IDInChI=1S/C25H32N4O/c1-4-23-22(24-27-18(2)16-19(3)29(24)28-23)17-21-9-7-20(8-10-21)6-5-11-25(30)12-14-26-15-13-25/h5-10,16,26,30H,4,11-15,17H2,1-3H3/b6-5+
PubChem CID68379125
ChEMBLCHEMBL3670932
IUPHARN/A
BindingDB123478
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
37728G-protein coupled receptor 4P46093GPR4Homo sapiens (Human)362

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