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Ligand

NameCHEMBL3315352
Molecular formulaC22H34O4
IUPAC name(E)-5-[(1S,4aR,6S,8aR)-6-acetyloxy-2,5,5,8a-tetramethyl-1,4,4a,6,7,8-hexahydronaphthalen-1-yl]-3-methylpent-2-enoic acid
Molecular weight362.51
Hydrogen bond acceptor4
Hydrogen bond donor1
XlogP5.1
SynonymsBDBM50049428
Inchi KeyJAOSZJFNMXPMLX-BULWIKRESA-N
Inchi IDInChI=1S/C22H34O4/c1-14(13-20(24)25)7-9-17-15(2)8-10-18-21(4,5)19(26-16(3)23)11-12-22(17,18)6/h8,13,17-19H,7,9-12H2,1-6H3,(H,24,25)/b14-13+/t17-,18-,19-,22+/m0/s1
PubChem CID118708141
ChEMBLCHEMBL3315352
IUPHARN/A
BindingDB50049428
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand has a partition coefficient log P greater than 5.

Known GPCRs

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Total entries: 1
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
447457Taste receptor type 2 member 31P59538TAS2R31Homo sapiens (Human)309

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