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| SMILES | COc1ccc(c(c1)C)c1c(C)nn2c1nc(C)cc2N[C@H](c1onc(n1)C)CC |
| InChIKey | VKHVAUKFLBBZFJ-SFHVURJKSA-N |
Chemical properties
| Hydrogen bond acceptors | 8 |
| Hydrogen bond donors | 1 |
| Rotatable bonds | 6 |
| Molecular weight (Da) | 406.2 |
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 |
| CRF1 | CRFR1 | Human | Corticotropin-releasing factor | B1 | pKi | 8.2 | 8.2 | 8.2 | Guide to Pharmacology |
| CRF1 | CRFR1 | Human | Corticotropin-releasing factor | B1 | pKi | 8.2 | 8.2 | 8.2 | ChEMBL |
| Receptor | Activity | Source | |||||||
|---|---|---|---|---|---|---|---|---|---|
| GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
| CRF1 | CRFR1 | Human | Corticotropin-releasing factor | B1 | pIC50 | 7.0 | 7.0 | 7.0 | ChEMBL |