CESAMET
SMILES | CCCCCCC(C)(C)c1cc(O)c2c(c1)OC(C)(C)[C@@H]1CCC(=O)C[C@@H]21 |
InChIKey | GECBBEABIDMGGL-RTBURBONSA-N |
Chemical properties
Hydrogen bond acceptors | 3 |
Hydrogen bond donors | 1 |
Rotatable bonds | 6 |
Molecular weight (Da) | 372.3 |
Drug properties
Molecular type | Small molecule |
Endogenous/Surrogate | Surrogate |
Approved drug | No |
Database connections
Bioactivities
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
CB1 | CNR1 | Rat | Cannabinoid | A | pKi | 8.66 | 8.66 | 8.66 | ChEMBL |
CB2 | CNR2 | Human | Cannabinoid | A | pKi | 7.75 | 8.4 | 8.73 | ChEMBL |
CB1 | CNR1 | Human | Cannabinoid | A | pKi | 8.29 | 8.54 | 8.66 | ChEMBL |
CB1 | CNR1 | Rat | Cannabinoid | A | pKi | 7.65 | 7.65 | 7.65 | PDSP Ki database |
CB1 | CNR1 | Human | Cannabinoid | A | pKi | 8.08 | 8.08 | 8.08 | Drug Central |
CB2 | CNR2 | Human | Cannabinoid | A | pKi | 8.09 | 8.09 | 8.09 | Drug Central |
CB2 | CNR2 | Mouse | Cannabinoid | A | pKi | 8.06 | 8.06 | 8.06 | Drug Central |
CB1 | CNR1 | Rat | Cannabinoid | A | pKi | 8.06 | 8.06 | 8.06 | Drug Central |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
CB1 | CNR1 | Human | Cannabinoid | A | pEC50 | 8.4 | 8.4 | 8.4 | ChEMBL |