CHEMBL5190234
| SMILES | C[C@H](c1ccc(-c2cc(Cl)ccc2C(=O)NCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCOCCOCCOCCOCCN=[N+]=[N-])cc1)N(CC1CC1)c1nc(C(=O)NS(=O)(=O)C2CC2)c(C2CC2)s1 |
| InChIKey | PEWIBHKJSPHMGG-AFLCPGBUSA-N |
Chemical properties
| Hydrogen bond acceptors | 31 |
| Hydrogen bond donors | 2 |
| Rotatable bonds | 82 |
| Molecular weight (Da) | 1665.8 |
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 |
| Receptor | Activity | Source | |||||||
|---|---|---|---|---|---|---|---|---|---|
| GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
| chemerin | CML1 | Human | Chemerin receptor | A | pIC50 | 7.0 | 7.0 | 7.0 | ChEMBL |
| chemerin | CML1 | Human | Chemerin receptor | A | pEC50 | 6.42 | 6.42 | 6.42 | ChEMBL |