CHEMBL236020
| SMILES | N=C(N)NC1CCC(CC2CCC(N(C/C(Cl)=C/c3ccccc3)C(=O)CCCc3c[nH]c4ccccc34)CC2)CC1 |
| InChIKey | WSYDFYSRHSUITP-IADYIPOJSA-N |
Chemical properties
| Hydrogen bond acceptors | 2 |
| Hydrogen bond donors | 4 |
| Rotatable bonds | 11 |
| Molecular weight (Da) | 587.3 |
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 | 5.27 | 5.42 | 5.57 | ChEMBL |
| MC5 | MC5R | Human | Melanocortin | A | pKi | 4.57 | 4.6 | 4.62 | ChEMBL |
| MC3 | MC3R | Human | Melanocortin | A | pKi | 4.89 | 4.96 | 5.02 | ChEMBL |
| MC4 | MC4R | Human | Melanocortin | A | pKi | 5.4 | 5.44 | 5.47 | ChEMBL |
| Receptor | Activity | Source | |||||||
|---|---|---|---|---|---|---|---|---|---|
| GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |