CHEMBL238345
| SMILES | COc1cc(O)ccc1/C=C/CN(C(=O)CCCc1c[nH]c2ccccc12)C1CCC(CC2CCC(N)CC2)CC1 |
| InChIKey | IZYHZKBKUWLBPO-FNORWQNLSA-N |
Chemical properties
| Hydrogen bond acceptors | 4 |
| Hydrogen bond donors | 3 |
| Rotatable bonds | 11 |
| Molecular weight (Da) | 557.4 |
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 | 5.48 | 5.51 | 5.54 | ChEMBL |
| MC5 | MC5R | Human | Melanocortin | A | pKi | 4.96 | 5.04 | 5.12 | ChEMBL |
| MC3 | MC3R | Human | Melanocortin | A | pKi | 4.29 | 4.36 | 4.43 | ChEMBL |
| MC4 | MC4R | Human | Melanocortin | A | pKi | 5.1 | 5.14 | 5.19 | ChEMBL |
| Receptor | Activity | Source | |||||||
|---|---|---|---|---|---|---|---|---|---|
| GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |