CHEMBL235582
| SMILES | C=C(Br)CN(C(=O)CCCc1c[nH]c2ccccc12)C1CCC(CC2CCC(N)CC2)CC1 |
| InChIKey | RYCWICTVUONLAS-UHFFFAOYSA-N |
Chemical properties
| Hydrogen bond acceptors | 2 |
| Hydrogen bond donors | 2 |
| Rotatable bonds | 9 |
| Molecular weight (Da) | 513.2 |
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 |
| MC1 | MSHR | Mouse | Melanocortin | A | pKi | 5.85 | 5.96 | 6.09 | ChEMBL |
| MC5 | MC5R | Human | Melanocortin | A | pKi | 5.03 | 5.18 | 5.31 | ChEMBL |
| MC3 | MC3R | Human | Melanocortin | A | pKi | 4.54 | 4.63 | 4.72 | ChEMBL |
| MC4 | MC4R | Human | Melanocortin | A | pKi | 5.26 | 5.42 | 5.5 | ChEMBL |
| Receptor | Activity | Source | |||||||
|---|---|---|---|---|---|---|---|---|---|
| GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |