CHEMBL363730
| SMILES | CC1CN(/C(=N/c2ccc(C(=O)NCCc3ccc(Cl)cc3Cl)cc2)NC2CCCCC2)CC(C)N1 |
| InChIKey | QDDPPGFVMRPNTQ-UHFFFAOYSA-N |
Chemical properties
| Hydrogen bond acceptors | 3 |
| Hydrogen bond donors | 3 |
| Rotatable bonds | 6 |
| Molecular weight (Da) | 529.2 |
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 |
| MC3 | MC3R | Human | Melanocortin | A | pKi | 5.41 | 5.41 | 5.41 | ChEMBL |
| MC4 | MC4R | Human | Melanocortin | A | pKi | 6.23 | 6.23 | 6.23 | ChEMBL |
| MC5 | MC5R | Human | Melanocortin | A | pKi | 7.96 | 7.96 | 7.96 | ChEMBL |
| Receptor | Activity | Source | |||||||
|---|---|---|---|---|---|---|---|---|---|
| GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
| MC4 | MC4R | Human | Melanocortin | A | pEC50 | 5.4 | 5.4 | 5.4 | ChEMBL |
| MC5 | MC5R | Human | Melanocortin | A | pIC50 | 7.1 | 7.1 | 7.1 | ChEMBL |