L-759,633   Click here for help

GtoPdb Ligand ID: 748

Synonyms: L-759633 | L759633
Compound class: Synthetic organic
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 0
Hydrogen bond donors 0
Rotatable bonds 7
Topological polar surface area 18.46
Molecular weight 384.3
XLogP 8.74
No. Lipinski's rules broken 1
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Canonical SMILES CCCCCCC(c1cc(OC)c2c(c1)OC(C1C2CC(=CC1)C)(C)C)(C)C
Isomeric SMILES CCCCCCC(c1cc(OC)c2c(c1)OC([C@H]1[C@H]2CC(=CC1)C)(C)C)(C)C
InChI InChI=1S/C26H40O2/c1-8-9-10-11-14-25(3,4)19-16-22(27-7)24-20-15-18(2)12-13-21(20)26(5,6)28-23(24)17-19/h12,16-17,20-21H,8-11,13-15H2,1-7H3/t20-,21-/m1/s1
1. Gareau Y, Dufresne C, Gallant M, Rochette C, Sawyer N, Slipetz DM, Tremblay N, Weech PK, Metters KM, Labelle M. (1996)
Structure activity relationships of tetrahydrocannabinol analogues on human cannabinoid receptors.
Bioorg Med Chem Lett, 6: 189-194.
2. Ross RA, Brockie HC, Stevenson LA, Murphy VL, Templeton F, Makriyannis A, Pertwee RG. (1999)
Agonist-inverse agonist characterization at CB1 and CB2 cannabinoid receptors of L759633, L759656 and AM630.
Br J Pharmacol, 126: 665-672. [PMID:10188977]