CHEMBL387246
| SMILES | CNC(=O)[C@H](Cc1ccc2ccccc2c1)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](N)Cc1ccccc1 |
| InChIKey | GXWODOLKOXXRLR-DSITVLBTSA-N |
Chemical properties
| Hydrogen bond acceptors | 5 |
| Hydrogen bond donors | 6 |
| Rotatable bonds | 13 |
| Molecular weight (Da) | 531.3 |
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 |
| MC1 | MSHR | Human | Melanocortin | A | pKi | 5.36 | 5.36 | 5.36 | ChEMBL |
| MC3 | MC3R | Human | Melanocortin | A | pKi | 4.65 | 4.65 | 4.65 | ChEMBL |
| MC4 | MC4R | Human | Melanocortin | A | pKi | 5.9 | 5.9 | 5.9 | ChEMBL |
| Receptor | Activity | Source | |||||||
|---|---|---|---|---|---|---|---|---|---|
| GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
| MC1 | MSHR | Human | Melanocortin | A | pEC50 | 4.7 | 4.7 | 4.7 | ChEMBL |
| MC3 | MC3R | Human | Melanocortin | A | pEC50 | 4.7 | 4.7 | 4.7 | ChEMBL |
| MC4 | MC4R | Human | Melanocortin | A | pEC50 | 6.09 | 6.09 | 6.09 | ChEMBL |