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Ligand

NameCHEMBL1259092
Molecular formulaC24H35BrO3
IUPAC name(6aR,9S,10aR)-3-[1-(5-bromopentyl)cyclobutyl]-6,6-dimethyl-6a,7,8,9,10,10a-hexahydrobenzo[c]chromene-1,9-diol
Molecular weight451.445
Hydrogen bond acceptor3
Hydrogen bond donor2
XlogP6.5
SynonymsBDBM50328673
(6aR,9S,10aR)-3-[1-(5-Bromopentyl)cyclobutyl]-6a,7,8,9,10,10a-hexahydro-6,6-dimethyl-6H-dibenzo[b,d]pyran-1,9 diol
Inchi KeyCYVNIVQCBPNSMZ-IPMKNSEASA-N
Inchi IDInChI=1S/C24H35BrO3/c1-23(2)19-8-7-17(26)15-18(19)22-20(27)13-16(14-21(22)28-23)24(10-6-11-24)9-4-3-5-12-25/h13-14,17-19,26-27H,3-12,15H2,1-2H3/t17-,18+,19+/m0/s1
PubChem CID49782345
ChEMBLCHEMBL1259092
IUPHARN/A
BindingDB50328673
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: 3
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
53984Cannabinoid receptor 1P20272Cnr1Rattus norvegicus (Rat)473
53982Cannabinoid receptor 2P47936Cnr2Mus musculus (Mouse)347
53983Cannabinoid receptor 2P34972CNR2Homo sapiens (Human)360

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