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Ligand

NameCHEMBL3670934
Molecular formulaC26H34N4O
IUPAC name(2S,4S)-4-[(E)-3-[4-[(2-ethyl-5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl)methyl]phenyl]prop-2-enyl]-2-methylpiperidin-4-ol
Molecular weight418.585
Hydrogen bond acceptor4
Hydrogen bond donor2
XlogP4.5
SynonymsBDBM123480
SCHEMBL12803044
SCHEMBL12803048
US8748435, 5
Inchi KeyLXMWEIWZNWWODN-JNCWXOIASA-N
Inchi IDInChI=1S/C26H34N4O/c1-5-24-23(25-28-18(2)15-20(4)30(25)29-24)16-22-10-8-21(9-11-22)7-6-12-26(31)13-14-27-19(3)17-26/h6-11,15,19,27,31H,5,12-14,16-17H2,1-4H3/b7-6+/t19-,26-/m0/s1
PubChem CID68379375
ChEMBLCHEMBL3670934
IUPHARN/A
BindingDB123480
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
198887G-protein coupled receptor 4P46093GPR4Homo sapiens (Human)362

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