lenabasum
SMILES | CCCCCCC(c1cc(O)c2c(c1)OC([C@H]1[C@H]2CC(=CC1)C(=O)O)(C)C)(C)C |
InChIKey | YCHYFHOSGQABSW-RTBURBONSA-N |
Chemical properties
Hydrogen bond acceptors | 3 |
Hydrogen bond donors | 2 |
Rotatable bonds | 7 |
Molecular weight (Da) | 400.3 |
Drug properties
Molecular type | Small molecule |
Physiological/Surrogate | Surrogate |
Approved drug | Yes |
Database connections
Bioactivities
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
CB2 | CNR2 | Human | Cannabinoid | A | pKi | 6.77 | 6.77 | 6.77 | ChEMBL |
CB1 | CNR1 | Human | Cannabinoid | A | pKi | 7.49 | 7.87 | 8.24 | ChEMBL |
CB1 | CNR1 | Human | Cannabinoid | A | pKi | 7.49 | 7.49 | 7.49 | Guide to Pharmacology |
CB2 | CNR2 | Human | Cannabinoid | A | pKi | 6.77 | 6.77 | 6.77 | Guide to Pharmacology |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
CB1 | CNR1 | Human | Cannabinoid | A | pEC50 | 6.03 | 6.03 | 6.03 | ChEMBL |