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 |
CB2 | CNR2 | Mouse | Cannabinoid | A | pKi | 6.64 | 6.64 | 6.64 | ChEMBL |
α2C | ADA2C | Human | Adrenoceptors | A | pKi | 5.43 | 5.43 | 5.43 | 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 |
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 |
CB1 | CNR1 | Rat | Cannabinoid | A | pKi | 8.23 | 8.23 | 8.23 | Drug Central |
α2B | ADA2B | Human | Adrenoceptors | A | pKi | 5.5 | 5.5 | 5.5 | 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 |
CB2 | CNR2 | Mouse | Cannabinoid | A | pKi | 8.18 | 8.18 | 8.18 | Drug Central |
CB1 | CNR1 | Rat | Cannabinoid | A | pKi | 5.9 | 5.9 | 5.9 | ChEMBL |
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 |