abnormal cannabidiol   Click here for help

GtoPdb Ligand ID: 5526

Synonyms: Abn-CBD | CAY10429
PDB Ligand
Compound class: Synthetic organic
Comment: Abn-CBD is a synthetic cannabidiol analogue, that is believed to act through receptor(s) other than CB1 and CB2 [2].
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 0
Hydrogen bond donors 2
Rotatable bonds 6
Topological polar surface area 40.46
Molecular weight 314.22
XLogP 6.8
No. Lipinski's rules broken 1
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Canonical SMILES CCCCCc1cc(O)cc(c1C1C=C(C)CCC1C(=C)C)O
Isomeric SMILES CCCCCc1cc(O)cc(c1[C@@H]1C=C(C)CC[C@H]1C(=C)C)O
InChI InChI=1S/C21H30O2/c1-5-6-7-8-16-12-17(22)13-20(23)21(16)19-11-15(4)9-10-18(19)14(2)3/h11-13,18-19,22-23H,2,5-10H2,1,3-4H3/t18-,19+/m0/s1
Selectivity at GPCRs
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Target Sp. Type Action Value Parameter Concentration range (M) Reference
GPR55 Hs Agonist Agonist 5.5 – 8.6 pEC50 - 1,4
pEC50 8.6 (EC50 2.5x10-9 M) [1]
pEC50 5.5 – 5.7 (EC50 3.102x10-6 – 1.944x10-6 M) [4]
GPR18 Hs Agonist Agonist 6.1 pEC50 - 3
pEC50 6.1 (EC50 8.357x10-7 M) [3]