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Name | CHEMBL1259091 |
---|---|
Molecular formula | C24H35BrO3 |
IUPAC name | (6aR,9R,10aR)-3-[1-(5-bromopentyl)cyclobutyl]-6,6-dimethyl-6a,7,8,9,10,10a-hexahydrobenzo[c]chromene-1,9-diol |
Molecular weight | 451.445 |
Hydrogen bond acceptor | 3 |
Hydrogen bond donor | 2 |
XlogP | 6.5 |
Synonyms | BDBM50328672 (6aR,9R,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 Key | CYVNIVQCBPNSMZ-GUDVDZBRSA-N |
Inchi ID | InChI=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-/m1/s1 |
PubChem CID | 49782344 |
ChEMBL | CHEMBL1259091 |
IUPHAR | N/A |
BindingDB | 50328672 |
DrugBank | N/A |
Structure | ![]() |
Lipinski's druglikeness | This ligand has a partition coefficient log P greater than 5. |
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GLASS ID | Name | UniProt | Gene | Species | Length |
---|---|---|---|---|---|
53980 | Cannabinoid receptor 1 | P20272 | Cnr1 | Rattus norvegicus (Rat) | 473 |
53979 | Cannabinoid receptor 2 | P34972 | CNR2 | Homo sapiens (Human) | 360 |
53981 | Cannabinoid receptor 2 | P47936 | Cnr2 | Mus musculus (Mouse) | 347 |
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