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Ligand

NameCHEMBL322112
Molecular formulaC29H36O2S2
IUPAC name(6aR,10aR)-3-(2-hexyl-1,3-benzodithiol-2-yl)-6,6,9-trimethyl-6a,7,10,10a-tetrahydrobenzo[c]chromen-1-ol
Molecular weight480.725
Hydrogen bond acceptor4
Hydrogen bond donor1
XlogP8.4
Synonyms(6aR,10aR)-3-(2-hexylbenzo[d][1,3]dithiol-2-yl)-6,6,9-trimethyl-6a,7,10,10a-tetrahydro-6H-benzo[c]chromen-1-ol
BDBM50130622
3-(2-Hexyl-benzo[1,3]dithiol-2-yl)-6,6,9-trimethyl-6a,7,10,10a-tetrahydro-6H-benzo[c]chromen-1-ol
Inchi KeyANYRPLTZNUMLQT-FGZHOGPDSA-N
Inchi IDInChI=1S/C29H36O2S2/c1-5-6-7-10-15-29(32-25-11-8-9-12-26(25)33-29)20-17-23(30)27-21-16-19(2)13-14-22(21)28(3,4)31-24(27)18-20/h8-9,11-13,17-18,21-22,30H,5-7,10,14-16H2,1-4H3/t21-,22-/m1/s1
PubChem CID10972872
ChEMBLCHEMBL322112
IUPHARN/A
BindingDB50130622
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: 4
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
10020Cannabinoid receptor 1P21554CNR1Homo sapiens (Human)472
10022Cannabinoid receptor 1P20272Cnr1Rattus norvegicus (Rat)473
10019Cannabinoid receptor 2P47936Cnr2Mus musculus (Mouse)347
10021Cannabinoid receptor 2P34972CNR2Homo sapiens (Human)360

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