MeTRH
SMILES | O=C(N1CCC[C@H]1C(=O)N)[C@@H](NC(=O)[C@@H]1CCC(=O)N1C)Cc1[nH]cnc1 |
InChIKey | DJLHRAHTTSWYAW-AVGNSLFASA-N |
Chemical properties
Hydrogen bond acceptors | 5 |
Hydrogen bond donors | 3 |
Rotatable bonds | 6 |
Molecular weight (Da) | 376.2 |
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 | Human | Cannabinoid | A | pKi | 8.0 | 8.0 | 8.0 | Guide to Pharmacology |
CB2 | CNR2 | Human | Cannabinoid | A | pKi | 8.5 | 8.5 | 8.5 | Guide to Pharmacology |
CB1 | CNR1 | Mouse | Cannabinoid | A | pKi | 8.89 | 8.89 | 8.89 | ChEMBL |
CB1 | CNR1 | Rat | Cannabinoid | A | pKi | 8.04 | 8.04 | 8.04 | ChEMBL |
CB2 | CNR2 | Human | Cannabinoid | A | pKi | 8.02 | 8.31 | 8.54 | ChEMBL |
CB1 | CNR1 | Human | Cannabinoid | A | pKi | 8.02 | 8.39 | 8.7 | ChEMBL |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
CB1 | CNR1 | Rat | Cannabinoid | A | pIC50 | 6.55 | 6.55 | 6.55 | ChEMBL |
CB2 | CNR2 | Human | Cannabinoid | A | pEC50 | 7.66 | 7.98 | 8.3 | ChEMBL |
CB1 | CNR1 | Human | Cannabinoid | A | pEC50 | 7.45 | 7.74 | 8.3 | ChEMBL |