CHEMBL235589
| SMILES | CCOc1cc(CN(C(=O)CCCc2c(Cc3ccc(O)cc3)[nH]c3ccccc23)C2CCC(CC3CCC(N)CC3)CC2)ccc1OC |
| InChIKey | YKWPMHDNQNWWAS-UHFFFAOYSA-N |
Chemical properties
| Hydrogen bond acceptors | 5 |
| Hydrogen bond donors | 3 |
| Rotatable bonds | 14 |
| Molecular weight (Da) | 665.4 |
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 | 5.68 | 5.68 | 5.68 | ChEMBL |
| MC3 | MC3R | Human | Melanocortin | A | pKi | 4.58 | 4.58 | 4.58 | ChEMBL |
| MC4 | MC4R | Human | Melanocortin | A | pKi | 5.68 | 5.68 | 5.68 | ChEMBL |
| MC5 | MC5R | Human | Melanocortin | A | pKi | 4.92 | 4.92 | 4.92 | ChEMBL |
| Receptor | Activity | Source | |||||||
|---|---|---|---|---|---|---|---|---|---|
| GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |