TM-38837
SMILES | CCc1c(nn(c1c1ccc(s1)C#Cc1ccc(cc1)C(F)(F)F)c1ccc(cc1Cl)Cl)C(=O)NN1CCCCC1 |
InChIKey | VQOCBFYUDSBDCZ-UHFFFAOYSA-N |
Chemical properties
Hydrogen bond acceptors | 5 |
Hydrogen bond donors | 1 |
Rotatable bonds | 5 |
Molecular weight (Da) | 616.1 |
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 | 8.52 | 8.52 | 8.52 | ChEMBL |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
CB1 | CNR1 | Human | Cannabinoid | A | pIC50 | 8.07 | 8.07 | 8.07 | ChEMBL |
CB1 | CNR1 | Human | Cannabinoid | A | pIC50 | 8.07 | 8.07 | 8.07 | Guide to Pharmacology |
CB2 | CNR2 | Human | Cannabinoid | A | pIC50 | 6.22 | 6.22 | 6.22 | Guide to Pharmacology |