Molecule Details
| InChIKey | QHMBSVQNZZTUGM-ZWKOTPCHSA-N |
|---|---|
| Compound Name | Cannabidiol |
| Canonical SMILES | C=C(C)[C@@H]1CCC(C)=C[C@H]1c1c(O)cc(CCCCC)cc1O |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 13 |
| Pfam Stratification | Cross-Family |
| Avg pChEMBL | 6.68 |
| Source | BindingDB;ChEMBL |
2D Structure
Activity Profile
DrugBank Annotations
| DrugBank ID | DB09061 |
|---|---|
| Drug Name | Cannabidiol |
| CAS Number | 13956-29-1 |
| Groups | approved investigational |
| ATC Codes | N03AX24 |
| Description | Cannabidiol, or CBD, is one of at least 85 active cannabinoids identified within the Cannabis plant. It is a major phytocannabinoid, accounting for up to 40% of the Cannabis plant's extract, that binds to a wide variety of physiological targets of the endocannabinoid system within the body. Although... |
Categories: Agents producing tachycardia Agents that produce hypertension Anticonvulsants Antidepressive Agents BCRP/ABCG2 Inhibitors Cannabinoids and similars Central Nervous System Agents Central Nervous System Depressants Cytochrome P-450 CYP1A2 Inducers Cytochrome P-450 CYP1A2 Inducers (strength unknown) Cytochrome P-450 CYP1A2 Inhibitors Cytochrome P-450 CYP1A2 Inhibitors (strength unknown) Cytochrome P-450 CYP1A2 Substrates Cytochrome P-450 CYP2A6 Inhibitors Cytochrome P-450 CYP2A6 Inhibitors (weak) Cytochrome P-450 CYP2B6 Inhibitors Cytochrome P-450 CYP2B6 Inhibitors (strength unknown) Cytochrome P-450 CYP2B6 Substrates Cytochrome P-450 CYP2C19 Inhibitors Cytochrome P-450 CYP2C19 Substrates Cytochrome P-450 CYP2C19 inhibitors (strength unknown) Cytochrome P-450 CYP2C8 Inhibitors Cytochrome P-450 CYP2C8 Inhibitors (strength unknown) Cytochrome P-450 CYP2C8 Substrates Cytochrome P-450 CYP2C9 Inhibitors Cytochrome P-450 CYP2C9 Inhibitors (strength unknown) Cytochrome P-450 CYP2C9 Substrates Cytochrome P-450 CYP2D6 Inhibitors Cytochrome P-450 CYP2D6 Inhibitors (strength unknown) Cytochrome P-450 CYP2D6 Substrates Cytochrome P-450 CYP2E1 Inhibitors Cytochrome P-450 CYP2E1 Inhibitors (strength unknown) Cytochrome P-450 CYP2E1 Substrates Cytochrome P-450 CYP3A Inhibitors Cytochrome P-450 CYP3A Substrates Cytochrome P-450 CYP3A4 Inhibitors Cytochrome P-450 CYP3A4 Inhibitors (strength unknown) Cytochrome P-450 CYP3A4 Substrates Cytochrome P-450 CYP3A5 Inhibitors Cytochrome P-450 CYP3A5 Inhibitors (strength unknown) Cytochrome P-450 CYP3A5 Substrates Cytochrome P-450 CYP3A7 Inhibitors Cytochrome P-450 CYP3A7 Inhibitors (strength unknown) Cytochrome P-450 Enzyme Inducers Cytochrome P-450 Enzyme Inhibitors Cytochrome P-450 Substrates Nervous System P-glycoprotein inhibitors Serotonergic Drugs Shown to Increase Risk of Serotonin Syndrome Serotonin 5-HT1 Receptor Agonists Serotonin 5-HT2 Receptor Agonists Serotonin Agents Serotonin Receptor Agonists Terpenes UGT1A9 Inhibitors UGT1A9 Substrates UGT2B17 substrates UGT2B7 Inhibitors UGT2B7 substrates
Cross-references: BindingDB: 50318484 ChEBI: 69478 CHEMBL190461 ChemSpider: 559095 Drugs Product Database (DPD): 14448 C07578 PDB: P0T PubChem:644019 PubChem:347827820 RxCUI: 2045371 Wikipedia: Cannabidiol ZINC: ZINC000004097406
Target Activities (13)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| P29466 | CASP1 | Homo sapiens | Human | PF00619 PF00656 | 7.7 | Kd | ChEMBL |
| Q7Z2W7 | TRPM8 | Homo sapiens | Human | PF00520 PF18139 PF25508 | 7.2 | IC50 | ChEMBL |
| O76083 | PDE9A | Homo sapiens | Human | PF00233 | 7.0 | IC50 | ChEMBL |
| P47870 | GABRB2 | Homo sapiens | Human | PF02931 PF02932 | 6.9 | IC50 | ChEMBL |
| P21554 | CNR1 | Homo sapiens | Human | PF00001 | 6.8 | Ki | ChEMBL |
| P04798 | CYP1A1 | Homo sapiens | Human | PF00067 | 6.8 | Ki | ChEMBL;BindingDB |
| P20815 | CYP3A5 | Homo sapiens | Human | PF00067 | 6.7 | Ki | ChEMBL;BindingDB |
| Q12791 | KCNMA1 | Homo sapiens | Human | PF03493 PF00520 PF22614 PF21014 | 6.5 | IC50 | ChEMBL |
| P35372 | OPRM1 | Homo sapiens | Human | PF00001 | 6.5 | IC50 | ChEMBL |
| P34972 | CNR2 | Homo sapiens | Human | PF00001 | 6.4 | Ki | ChEMBL;BindingDB |
| P20813 | CYP2B6 | Homo sapiens | Human | PF00067 | 6.2 | Ki | ChEMBL;BindingDB |
| P33261 | CYP2C19 | Homo sapiens | Human | PF00067 | 6.1 | Ki | ChEMBL;BindingDB |
| P08684 | CYP3A4 | Homo sapiens | Human | PF00067 | 6.0 | Ki | ChEMBL;BindingDB |
DrugBank Target Actions (81)
| Target | Gene | Target Name | Action | Type |
|---|---|---|---|---|
| Q08257 | Q08257 | Zeta-crystallin | binder | enzymes |
| Q16613 | Q16613 | Serotonin N-acetyltransferase | binder | enzymes |
| P05177 | CYP1A2 | Cytochrome P450 1A2 | inducer | enzymes |
| P20813 | CYP2B6 | Cytochrome P450 2B6 | inducer | enzymes |
| O00519 | FAAH | Fatty-acid amide hydrolase 1 | inhibitor | enzymes |
| O60656 | O60656 | UDP-glucuronosyltransferase 1A9 | inhibitor | enzymes |
| P04798 | CYP1A1 | Cytochrome P450 1A1 | inhibitor | enzymes |
| P05177 | CYP1A2 | Cytochrome P450 1A2 | inhibitor | enzymes |
| P05181 | CYP2E1 | Cytochrome P450 2E1 | inhibitor | enzymes |
| P08684 | CYP3A4 | Cytochrome P450 3A4 | inhibitor | enzymes |
| P09917 | ALOX5 | Polyunsaturated fatty acid 5-lipoxygenase | inhibitor | enzymes |
| P10632 | CYP2C8 | Cytochrome P450 2C8 | inhibitor | enzymes |
| P10635 | CYP2D6 | Cytochrome P450 2D6 | inhibitor | enzymes |
| P11509 | CYP2A6 | Cytochrome P450 2A6 | inhibitor | enzymes |
| P11712 | CYP2C9 | Cytochrome P450 2C9 | inhibitor | enzymes |
| P16050 | ALOX15 | Polyunsaturated fatty acid lipoxygenase ALOX15 | inhibitor | enzymes |
| P16662 | UGT2B7 | UDP-glucuronosyltransferase 2B7 | inhibitor | enzymes |
| P20813 | CYP2B6 | Cytochrome P450 2B6 | inhibitor | enzymes |
| P20815 | CYP3A5 | Cytochrome P450 3A5 | inhibitor | enzymes |
| P23141 | CES1 | Liver carboxylesterase 1 | inhibitor | enzymes |
| P24462 | CYP3A7 | Cytochrome P450 3A7 | inhibitor | enzymes |
| P33261 | CYP2C19 | Cytochrome P450 2C19 | inhibitor | enzymes |
| P51589 | CYP2J2 | Cytochrome P450 2J2 | inhibitor | enzymes |
| Q16678 | CYP1B1 | Cytochrome P450 1B1 | inhibitor | enzymes |
| O60656 | O60656 | UDP-glucuronosyltransferase 1A9 | substrate | enzymes |
| O75795 | O75795 | UDP-glucuronosyltransferase 2B17 | substrate | enzymes |
| P05177 | CYP1A2 | Cytochrome P450 1A2 | substrate | enzymes |
| P05181 | CYP2E1 | Cytochrome P450 2E1 | substrate | enzymes |
| P08684 | CYP3A4 | Cytochrome P450 3A4 | substrate | enzymes |
| P10632 | CYP2C8 | Cytochrome P450 2C8 | substrate | enzymes |
| P10635 | CYP2D6 | Cytochrome P450 2D6 | substrate | enzymes |
| P11712 | CYP2C9 | Cytochrome P450 2C9 | substrate | enzymes |
| P16662 | UGT2B7 | UDP-glucuronosyltransferase 2B7 | substrate | enzymes |
| P20813 | CYP2B6 | Cytochrome P450 2B6 | substrate | enzymes |
| P20815 | CYP3A5 | Cytochrome P450 3A5 | substrate | enzymes |
| P33261 | CYP2C19 | Cytochrome P450 2C19 | substrate | enzymes |
| Q9HAW7 | Q9HAW7 | UDP-glucuronosyltransferase 1A7 | substrate | enzymes |
| P30542 | ADORA1 | Adenosine receptor A1 | activator | targets |
| P37231 | PPARG | Peroxisome proliferator-activated receptor gamma | activator | targets |
| Q8NER1 | TRPV1 | Transient receptor potential cation channel subfamily V member 1 | activator | targets |
| Q8NET8 | TRPV3 | Transient receptor potential cation channel subfamily V member 3 | activator | targets |
| Q9HBA0 | TRPV4 | Transient receptor potential cation channel subfamily V member 4 | activator | targets |
| Q9Y5S1 | TRPV2 | Transient receptor potential cation channel subfamily V member 2 | activator | targets |
| O75762 | TRPA1 | Transient receptor potential cation channel subfamily A member 1 | agonist | targets |
| P08908 | HTR1A | 5-hydroxytryptamine receptor 1A | agonist | targets |
| P28223 | HTR2A | 5-hydroxytryptamine receptor 2A | agonist | targets |
| Q7Z2W7 | TRPM8 | Transient receptor potential cation channel subfamily M member 8 | agonist | targets |
| P23415 | GLRA1 | Glycine receptor subunit alpha-1 | allosteric modulator | targets |
| P35372 | OPRM1 | Mu-type opioid receptor | allosteric modulator | targets |
| P41143 | OPRD1 | Delta-type opioid receptor | allosteric modulator | targets |
| P21554 | CNR1 | Cannabinoid receptor 1 | antagonist | targets |
| P34972 | CNR2 | Cannabinoid receptor 2 | antagonist | targets |
| P46098 | HTR3A | 5-hydroxytryptamine receptor 3A | antagonist | targets |
| Q9Y2T6 | GPR55 | G-protein coupled receptor 55 | antagonist | targets |
| O43497 | CACNA1G | Voltage-dependent T-type calcium channel subunit alpha-1G | inhibitor | targets |
| O95180 | CACNA1H | Voltage-dependent T-type calcium channel subunit alpha-1H | inhibitor | targets |
| P00441 | P00441 | Superoxide dismutase [Cu-Zn] | inhibitor | targets |
| P04040 | CAT | Catalase | inhibitor | targets |
| P05093 | CYP17A1 | Steroid 17-alpha-hydroxylase/17,20 lyase | inhibitor | targets |
| P14902 | IDO1 | Indoleamine 2,3-dioxygenase 1 | inhibitor | targets |
| P15559 | NQO1 | NAD(P)H dehydrogenase [quinone] 1 | inhibitor | targets |
| P21796 | VDAC1 | Non-selective voltage-gated ion channel VDAC1 | inhibitor | targets |
| P23219 | PTGS1 | Prostaglandin G/H synthase 1 | inhibitor | targets |
| P24752 | ACAT1 | Acetyl-CoA acetyltransferase, mitochondrial | inhibitor | targets |
| P35354 | PTGS2 | Prostaglandin G/H synthase 2 | inhibitor | targets |
| Q02083 | NAAA | N-acylethanolamine-hydrolyzing acid amidase | inhibitor | targets |
| Q16613 | Q16613 | Serotonin N-acetyltransferase | inhibitor | targets |
| Q9P0X4 | CACNA1I | Voltage-dependent T-type calcium channel subunit alpha-1I | inhibitor | targets |
| P34972 | CNR2 | Cannabinoid receptor 2 | inverse agonist | targets |
| P47775 | P47775 | G-protein coupled receptor 12 | inverse agonist | targets |
| P21554 | CNR1 | Cannabinoid receptor 1 | modulator | targets |
| Q14330 | GPR18 | N-arachidonyl glycine receptor | partial agonist | targets |
| P36544 | CHRNA7 | Neuronal acetylcholine receptor subunit alpha-7 | positive allosteric modulator | targets |
| O75311 | O75311 | Glycine receptor subunit alpha-3 | potentiator | targets |
| P00390 | GSR | Glutathione reductase, mitochondrial | stimulator | targets |
| P04035 | HMGCR | 3-hydroxy-3-methylglutaryl-coenzyme A reductase | stimulator | targets |
| P07203 | P07203 | Glutathione peroxidase 1 | stimulator | targets |
| P08183 | ABCB1 | ATP-dependent translocase ABCB1 | inhibitor | transporters |
| P33527 | ABCC1 | Multidrug resistance-associated protein 1 | inhibitor | transporters |
| Q99808 | SLC29A1 | Equilibrative nucleoside transporter 1 | inhibitor | transporters |
| Q9UNQ0 | ABCG2 | Broad substrate specificity ATP-binding cassette transporter ABCG2 | inhibitor | transporters |