CHEMBL252289
| SMILES | CC[C@@H](NC1=NS(=O)(=O)N=C1Nc1cccc(C(=O)N(C)C)c1O)c1ccc2c(c1)OCCN2C |
| InChIKey | MTPPDQAZXQWYES-MRXNPFEDSA-N |
Chemical properties
| Hydrogen bond acceptors | 8 |
| Hydrogen bond donors | 3 |
| Rotatable bonds | 5 |
| Molecular weight (Da) | 500.2 |
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 |
| CXCR1 | CXCR1 | Human | Chemokine | A | pKi | 5.55 | 5.55 | 5.55 | ChEMBL |
| CXCR2 | CXCR2 | Human | Chemokine | A | pKi | 8.05 | 8.05 | 8.05 | ChEMBL |
| Receptor | Activity | Source | |||||||
|---|---|---|---|---|---|---|---|---|---|
| GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |