CHEMBL236226
| SMILES | NC1CCCC(NC(=O)NC2CCCC(N(C/C(Cl)=C/c3ccccc3)C(=O)CCCc3c[nH]c4ccccc34)C2)C1 |
| InChIKey | HGTDWWCHSJRKSY-XHPQRKPJSA-N |
Chemical properties
| Hydrogen bond acceptors | 3 |
| Hydrogen bond donors | 4 |
| Rotatable bonds | 10 |
| Molecular weight (Da) | 589.3 |
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 | 5.51 | 5.51 | 5.51 | ChEMBL |
| MC5 | MC5R | Human | Melanocortin | A | pKi | 4.8 | 4.8 | 4.8 | ChEMBL |
| MC3 | MC3R | Human | Melanocortin | A | pKi | 4.35 | 4.35 | 4.35 | ChEMBL |
| MC4 | MC4R | Human | Melanocortin | A | pKi | 4.75 | 4.75 | 4.75 | ChEMBL |
| Receptor | Activity | Source | |||||||
|---|---|---|---|---|---|---|---|---|---|
| GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |