CHEMBL236841
| SMILES | NCCCCN(Cc1ccccc1)C(=O)CCCc1c(Cc2ccc(O)cc2)[nH]c2ccccc12 |
| InChIKey | RCUXGSSOHNIFNM-UHFFFAOYSA-N |
Chemical properties
| Hydrogen bond acceptors | 3 |
| Hydrogen bond donors | 3 |
| Rotatable bonds | 12 |
| Molecular weight (Da) | 469.3 |
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 | Mouse | Melanocortin | A | pKi | 5.11 | 5.11 | 5.11 | ChEMBL |
| MC5 | MC5R | Human | Melanocortin | A | pKi | 5.34 | 5.34 | 5.34 | ChEMBL |
| MC3 | MC3R | Human | Melanocortin | A | pKi | 4.8 | 4.8 | 4.8 | ChEMBL |
| MC4 | MC4R | Human | Melanocortin | A | pKi | 5.21 | 5.21 | 5.21 | ChEMBL |
| Receptor | Activity | Source | |||||||
|---|---|---|---|---|---|---|---|---|---|
| GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |