CHEMBL394073
| SMILES | NC1CCC(CC2CCC(N(Cc3c(F)cccc3F)C(=O)CCCc3c(Cc4ccc(O)cc4)[nH]c4ccccc34)CC2)CC1 |
| InChIKey | JUMSMUNNVHJXRS-UHFFFAOYSA-N |
Chemical properties
| Hydrogen bond acceptors | 3 |
| Hydrogen bond donors | 3 |
| Rotatable bonds | 11 |
| Molecular weight (Da) | 627.4 |
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 |
| MC5 | MC5R | Human | Melanocortin | A | pKi | 4.68 | 4.68 | 4.68 | ChEMBL |
| MC3 | MC3R | Human | Melanocortin | A | pKi | 4.19 | 4.19 | 4.19 | ChEMBL |
| MC4 | MC4R | Human | Melanocortin | A | pKi | 5.52 | 5.52 | 5.52 | ChEMBL |
| Receptor | Activity | Source | |||||||
|---|---|---|---|---|---|---|---|---|---|
| GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |