navarixin
SMILES | CC[C@H](c1ccc(o1)C)NC1=C(C(=O)C1=O)Nc1cccc(c1O)C(=O)N(C)C |
InChIKey | RXIUEIPPLAFSDF-CYBMUJFWSA-N |
Chemical properties
Hydrogen bond acceptors | 7 |
Hydrogen bond donors | 3 |
Rotatable bonds | 7 |
Molecular weight (Da) | 397.2 |
Drug properties
Molecular type | Small molecule |
Physiological/Surrogate | Surrogate |
Approved drug | No |
Database connections
Ligand site mutations | CXCR2 |
Bioactivities
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
CXCR2 | CXCR2 | Human | Chemokine | A | pKi | 8.3 | 8.33 | 8.4 | ChEMBL |
CXCR1 | CXCR1 | Human | Chemokine | A | pKi | 7.7 | 7.72 | 7.75 | ChEMBL |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
CXCR2 | CXCR2 | Human | Chemokine | A | pIC50 | 6.17 | 8.0 | 10.31 | ChEMBL |
CXCR1 | CXCR1 | Human | Chemokine | A | pIC50 | 6.7 | 7.25 | 8.41 | ChEMBL |
CXCR1 | CXCR1 | Human | Chemokine | A | pIC50 | 8.41 | 8.41 | 8.41 | Guide to Pharmacology |
CXCR2 | CXCR2 | Human | Chemokine | A | pIC50 | 10.31 | 10.31 | 10.31 | Guide to Pharmacology |
CXCR2 | CXCR2 | Mouse | Chemokine | A | pIC50 | 8.09 | 8.09 | 8.09 | ChEMBL |