ACT-777991
SMILES | CC1=NN(C=N1)CC(=O)N2CCN(C[C@H]2CCO)C3=C(N=C(S3)C(F)(F)F)C4=CN=C(N=C4)C(F)(F)F |
InChIKey | FDZFVXKCJKOSRC-CYBMUJFWSA-N |
Chemical properties
Hydrogen bond acceptors | 10 |
Hydrogen bond donors | 1 |
Rotatable bonds | 6 |
Molecular weight (Da) | 550.1 |
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 |
δ | OPRD | Mouse | Opioid | A | pKd | 8.2 | 8.2 | 8.2 | ChEMBL |
κ | OPRK | Guinea pig | Opioid | A | pKi | 5.48 | 5.48 | 5.48 | ChEMBL |
κ | OPRK | Mouse | Opioid | A | pKd | 7.17 | 7.17 | 7.17 | ChEMBL |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |