CHEMBL246108
SMILES | CC[C@@H](Nc1c(Nc2cccc(C(=O)N(C)C)c2O)c(=O)c1=O)c1cc(C(C)C)co1 |
InChIKey | DGKQQEVYYPCMNE-OAHLLOKOSA-N |
Chemical properties
Hydrogen bond acceptors | 7 |
Hydrogen bond donors | 3 |
Rotatable bonds | 8 |
Molecular weight (Da) | 425.2 |
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 |
CXCR2 | CXCR2 | Human | Chemokine | A | pKi | 9.0 | 9.0 | 9.0 | ChEMBL |
CXCR1 | CXCR1 | Human | Chemokine | A | pKi | 8.52 | 8.52 | 8.52 | ChEMBL |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
CXCR2 | CXCR2 | Human | Chemokine | A | pIC50 | 8.89 | 8.89 | 8.89 | ChEMBL |
CXCR1 | CXCR1 | Human | Chemokine | A | pIC50 | 8.14 | 8.14 | 8.14 | ChEMBL |