CHEMBL238154
| SMILES | CC1CC(CC2CCC(N(Cc3ccccc3)C(=O)CCCc3c[nH]c4ccccc34)C(C)C2)CCC1N |
| InChIKey | IKLPEMFMSKFWMF-UHFFFAOYSA-N |
Chemical properties
| Hydrogen bond acceptors | 2 |
| Hydrogen bond donors | 2 |
| Rotatable bonds | 9 |
| Molecular weight (Da) | 513.4 |
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 | 5.77 | 5.95 | 6.16 | ChEMBL |
| MC5 | MC5R | Human | Melanocortin | A | pKi | 5.16 | 5.36 | 5.77 | ChEMBL |
| MC3 | MC3R | Human | Melanocortin | A | pKi | 4.51 | 4.93 | 5.37 | ChEMBL |
| MC4 | MC4R | Human | Melanocortin | A | pKi | 5.42 | 5.59 | 5.92 | ChEMBL |
| Receptor | Activity | Source | |||||||
|---|---|---|---|---|---|---|---|---|---|
| GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |