CHEMBL5183004
| SMILES | C[C@H](c1ccc(-c2cc(Cl)ccc2C(=O)NCCOCCOCCOCCOCCOCCOCCn2nnc3c2-c2ccccc2N(C(=O)CCNC(=O)CCOCCOCCOCCOCCNC(=O)CCCC[C@@H]2SC[C@@H]4NC(=O)N[C@@H]42)Cc2ccccc2-3)cc1)N(CC1CC1)c1nc(C(=O)NS(=O)(=O)C2CC2)c(C2CC2)s1 |
| InChIKey | IDWTWJBKZIIMLK-KEFKFKIMSA-N |
Chemical properties
| Hydrogen bond acceptors | 25 |
| Hydrogen bond donors | 6 |
| Rotatable bonds | 55 |
| Molecular weight (Da) | 1680.7 |
Drug properties
| Molecular type | Small molecule |
| Endogenous/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 | 7.85 | 7.85 | 7.85 | ChEMBL |