CHEMBL585928
SMILES | CCN(Nc1c(Nc2cccc(C(=O)N(C)C)c2O)c(=O)c1=O)c1ccccn1 |
InChIKey | NTNRTNFIIMITSQ-UHFFFAOYSA-N |
Chemical properties
Hydrogen bond acceptors | 8 |
Hydrogen bond donors | 3 |
Rotatable bonds | 7 |
Molecular weight (Da) | 395.2 |
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 | 6.89 | 6.89 | 6.89 | ChEMBL |
CXCR1 | CXCR1 | Human | Chemokine | A | pKi | 5.28 | 5.28 | 5.28 | ChEMBL |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
CXCR2 | CXCR2 | Human | Chemokine | A | pIC50 | 7.12 | 7.12 | 7.12 | ChEMBL |