CHEMBL2112936
| SMILES | N[C@H]1CCCC[C@@H]1NC(=O)c1c2c(c3c4c(ncnc14)-c1ccccc1C3=O)N[C@@H]1CCCC[C@H]1N2 |
| InChIKey | PYMJARYEQYKRFZ-INDMIFKZSA-N |
Chemical properties
| Hydrogen bond acceptors | 7 |
| Hydrogen bond donors | 4 |
| Rotatable bonds | 2 |
| Molecular weight (Da) | 482.2 |
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 |
| CRF2 | CRFR2 | Mouse | Corticotropin-releasing factor | B1 | pKi | 7.7 | 7.7 | 7.7 | ChEMBL |
| CRF1 | CRFR1 | Rat | Corticotropin-releasing factor | B1 | pKi | 6.96 | 6.96 | 6.96 | ChEMBL |
| Y1 | NPY1R | Human | Neuropeptide Y | A | pKi | 5.38 | 5.38 | 5.38 | ChEMBL |
| 5-HT7 | 5HT7R | Human | 5-Hydroxytryptamine | A | pKi | 5.8 | 5.8 | 5.8 | ChEMBL |
| D2 | DRD2 | Human | Dopamine | A | pKi | 5.5 | 5.5 | 5.5 | ChEMBL |
| Receptor | Activity | Source | |||||||
|---|---|---|---|---|---|---|---|---|---|
| GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |