CRN04894
| SMILES | CCOC1=C(C=CC=C1)C2=CC=C(N3CCN(C[C@H]3CC)C(=O)C4(CCC4)C(F)(F)F)C(=N2)C(=O)N[C@@H]5CN6CCC5CC6 |
| InChIKey | QJRFBKYETDVAJQ-ZEQKJWHPSA-N |
Chemical properties
| Hydrogen bond acceptors | 6 |
| Hydrogen bond donors | 1 |
| Rotatable bonds | 8 |
| Molecular weight (Da) | 613.3 |
Drug properties
| Molecular type | Small molecule |
| Physiological/Surrogate | Surrogate |
| Approved drug | No |
Database connections
Bioactivities
| Receptor | Activity | Source | |||||||
|---|---|---|---|---|---|---|---|---|---|
| GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
| MC2 | ACTHR | Human | Melanocortin | A | pKi | 8.68 | 8.69 | 8.7 | ChEMBL |
| Receptor | Activity | Source | |||||||
|---|---|---|---|---|---|---|---|---|---|
| GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
| MC2 | G3V848 | Rat | Melanocortin | A | pKB | 9.64 | 9.64 | 9.64 | Guide to Pharmacology |
| 5-HT1B | 5HT1B | Human | 5-Hydroxytryptamine | A | pIC50 | 6.12 | 6.12 | 6.12 | ChEMBL |
| MC2 | ACTHR | Human | Melanocortin | A | pKB | 9.47 | 9.47 | 9.47 | Guide to Pharmacology |