cannabidiol


SMILES CCCCCc1cc(O)c(c(c1)O)[C@@H]1C=C(C)CC[C@H]1C(=C)C
InChIKey QHMBSVQNZZTUGM-ZWKOTPCHSA-N

Chemical properties

Hydrogen bond acceptors 2
Hydrogen bond donors 2
Rotatable bonds 6
Molecular weight (Da) 314.2

Drug properties

Molecular type Small molecule
Endogenous/Surrogate Surrogate
Approved drug Yes

Database connections

Bioactivities

Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
α2C ADA2C Human Adrenoceptors A pKi 5.43 5.43 5.43 ChEMBL
5-HT2C 5HT2C Human 5-Hydroxytryptamine A pKi 5.96 5.96 5.96 ChEMBL
CB2 CNR2 Human Cannabinoid A pKi 5.0 5.63 6.43 ChEMBL
CB1 CNR1 Human Cannabinoid A pKi 5.36 5.55 5.84 ChEMBL
CB1 CNR1 Rat Cannabinoid A pKi 5.36 5.36 5.36 PDSP Ki database
CB1 CNR1 Human Cannabinoid A pKi 8.25 8.25 8.25 Drug Central
CB2 CNR2 Human Cannabinoid A pKi 8.26 8.26 8.26 Drug Central
CB2 CNR2 Mouse Cannabinoid A pKi 8.18 8.18 8.18 Drug Central
α2B ADA2B Human Adrenoceptors A pKi 5.5 5.5 5.5 ChEMBL
D1 DRD1 Human Dopamine A pKi 5.57 5.57 5.57 ChEMBL
H3 HRH3 Human Histamine A pKi 5.51 5.51 5.51 ChEMBL
δ OPRD Human Opioid A pKi 5.19 5.19 5.19 ChEMBL
κ OPRK Human Opioid A pKi 5.64 5.64 5.64 ChEMBL
μ OPRM Human Opioid A pKi 5.89 5.89 5.89 ChEMBL
CB1 CNR1 Rat Cannabinoid A pKi 5.9 5.9 5.9 ChEMBL
CB1 CNR1 Rat Cannabinoid A pKi 8.23 8.23 8.23 Drug Central
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
GPR18 GPR18 Human GPR18, GPR55 and GPR119 A pEC50 4.29 4.29 4.29 Guide to Pharmacology
GPR55 GPR55 Human GPR18, GPR55 and GPR119 A pIC50 6.35 6.4 6.46 Guide to Pharmacology
5-HT1A 5HT1A Human 5-Hydroxytryptamine A pEC50 5.1 5.1 5.1 ChEMBL
CB2 CNR2 Human Cannabinoid A pEC50 6.2 7.25 8.1 ChEMBL
GPR18 GPR18 Human GPR18, GPR55 and GPR119 A pEC50 8.37 8.37 8.37 Drug Central
GPR55 GPR55 Human GPR18, GPR55 and GPR119 A pEC50 8.2 8.2 8.2 Drug Central
GPR55 GPR55 Human GPR18, GPR55 and GPR119 A pEC50 6.35 6.35 6.35 ChEMBL