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 |