| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 7th, 2005 | 23 | Yes |
Popular Name: CANNABIDIOL CANNABIDIOL
Find On: PubMed — Wikipedia — Google
CAS Numbers: 13956-29-1 , 13956-29-1; 56575-23-6
| Type pH range | xlogP | Des A‑Pol Apolar desolvation (kcal/mol) | Des Pol Polar desolvation (kcal/mol) | H Don H-bond donors | H Acc H-bond acceptors | Chg Net charge | tPSA (Ų) | MWT Molecular weight (g/mol) | RB Rotatable bonds | DL |
|---|---|---|---|---|---|---|---|---|---|---|
| Ref Reference (pH 7) | 7.14 | 0.62 | -3.91 | 2 | 2 | 0 | 40 | 314.469 | 6 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| PUBCHEM_PATENT_ID | EP0132313A2; EP0132313B1; EP0242589A2; EP0628037A1; EP0628037B1; EP0650054A3; EP0650054B1; EP0736529A1; EP0736529B1; EP0799188A2; EP0799188B1; EP0979228A1; EP1017366A1; US3955926; US3966556; US3966744; US3966764; US3975237; US4025516; US4064009; US4067774 | IBM Patent Data |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| CNR1-2-E | Cannabinoid CB1 Receptor (cluster #2 Of 5), Eukaryotic | Eukaryotes | 1265 | 0.36 | Binding ≤ 10μM |
| CNR1-2-E | Cannabinoid CB1 Receptor (cluster #2 Of 5), Eukaryotic | Eukaryotes | 1265 | 0.36 | Binding ≤ 10μM |
| CNR1-2-E | Cannabinoid CB1 Receptor (cluster #2 Of 5), Eukaryotic | Eukaryotes | 2400 | 0.34 | Binding ≤ 10μM |
| CNR2-3-E | Cannabinoid CB2 Receptor (cluster #3 Of 3), Eukaryotic | Eukaryotes | 230 | 0.40 | Binding ≤ 10μM |
| CNR2-3-E | Cannabinoid CB2 Receptor (cluster #3 Of 3), Eukaryotic | Eukaryotes | 230 | 0.40 | Binding ≤ 10μM |
| CNR2-3-E | Cannabinoid CB2 Receptor (cluster #3 Of 3), Eukaryotic | Eukaryotes | 10000 | 0.30 | Binding ≤ 10μM |
| GPR55-1-E | G-protein Coupled Receptor 55 (cluster #1 Of 1), Eukaryotic | Eukaryotes | 445 | 0.39 | Binding ≤ 10μM |
| TRPA1-3-E | Transient Receptor Potential Cation Channel Subfamily A Member 1 (cluster #3 Of 6), Eukaryotic | Eukaryotes | 96 | 0.43 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| CNR2_MOUSE | P47936 | Cannabinoid CB2 Receptor, Mouse | 230 | 0.40 | Binding ≤ 1μM |
| CNR2_HUMAN | P34972 | Cannabinoid CB2 Receptor, Human | 230 | 0.40 | Binding ≤ 1μM |
| GPR55_HUMAN | Q9Y2T6 | G-protein Coupled Receptor 55, Human | 445 | 0.39 | Binding ≤ 1μM |
| CNR1_HUMAN | P21554 | Cannabinoid CB1 Receptor, Human | 2400 | 0.34 | Binding ≤ 10μM |
| CNR1_RAT | P20272 | Cannabinoid CB1 Receptor, Rat | 1265 | 0.36 | Binding ≤ 10μM |
| CNR2_MOUSE | P47936 | Cannabinoid CB2 Receptor, Mouse | 230 | 0.40 | Binding ≤ 10μM |
| CNR2_HUMAN | P34972 | Cannabinoid CB2 Receptor, Human | 10000 | 0.30 | Binding ≤ 10μM |
| GPR55_HUMAN | Q9Y2T6 | G-protein Coupled Receptor 55, Human | 445 | 0.39 | Binding ≤ 10μM |
| TRPA1_RAT | Q6RI86 | Transient Receptor Potential Cation Channel Subfamily A Member 1, Rat | 96 | 0.43 | Functional ≤ 10μM |
| Description | Species |
|---|---|
| Class A/1 (Rhodopsin-like receptors) | |
| G alpha (i) signalling events |
