TETRAHYDROCANNABIVARIN
SMILES | CCCc1cc(O)c2c(c1)OC(C)(C)[C@@H]1CCC(C)=C[C@@H]21 |
InChIKey | ZROLHBHDLIHEMS-HUUCEWRRSA-N |
Chemical properties
Hydrogen bond acceptors | 2 |
Hydrogen bond donors | 1 |
Rotatable bonds | 2 |
Molecular weight (Da) | 286.2 |
Drug properties
Molecular type | Small molecule |
Physiological/Surrogate | Surrogate |
Approved drug | No |
Database connections
Bioactivities
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
CB1 | CNR1 | Mouse | Cannabinoid | A | pKi | 7.12 | 7.12 | 7.12 | ChEMBL |
CB2 | CNR2 | Human | Cannabinoid | A | pKi | 7.2 | 7.65 | 8.55 | ChEMBL |
CB1 | CNR1 | Human | Cannabinoid | A | pKi | 6.0 | 7.31 | 8.82 | ChEMBL |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
CB1 | CNR1 | Mouse | Cannabinoid | A | pEC50 | 4.9 | 4.9 | 4.9 | ChEMBL |
GPR55 | GPR55 | Human | GPR18, GPR55 and GPR119 | A | pEC50 | 6.06 | 6.06 | 6.06 | ChEMBL |
5-HT1A | 5HT1A | Rat | 5-Hydroxytryptamine | A | pEC50 | 8.27 | 8.27 | 8.27 | ChEMBL |
5-HT1A | 5HT1A | Human | 5-Hydroxytryptamine | A | pEC50 | 7.55 | 7.55 | 7.55 | ChEMBL |
CB2 | CNR2 | Human | Cannabinoid | A | pEC50 | 7.01 | 7.21 | 7.42 | ChEMBL |
CB2 | CNR2 | Human | Cannabinoid | A | pIC50 | 7.75 | 7.75 | 7.75 | ChEMBL |
CB1 | CNR1 | Human | Cannabinoid | A | pIC50 | 7.88 | 7.88 | 7.88 | ChEMBL |