CHEMBL363840
SMILES | Cn1nnnc1-c1cccc(NC(=O)N[C@@H]2CCCC[C@H]2CN2CCC[C@@H](Cc3ccc(F)cc3)C2)c1 |
InChIKey | HEXTXRMVMKIBQR-RZPFDVGOSA-N |
Chemical properties
Hydrogen bond acceptors | 6 |
Hydrogen bond donors | 2 |
Rotatable bonds | 7 |
Molecular weight (Da) | 505.3 |
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 |
CCR3 | CCR3 | Rat | Chemokine | A | pIC50 | 11.0 | 11.0 | 11.0 | ChEMBL |
CCR3 | CCR3 | Mouse | Chemokine | A | pIC50 | 7.7 | 7.7 | 7.7 | ChEMBL |
CCR3 | CCR3 | Human | Chemokine | A | pIC50 | 8.7 | 9.86 | 11.0 | ChEMBL |
CCR1 | CCR1 | Human | Chemokine | A | pIC50 | 5.0 | 5.0 | 5.0 | ChEMBL |
CXCR1 | CXCR1 | Human | Chemokine | A | pIC50 | 5.0 | 5.0 | 5.0 | ChEMBL |
CXCR2 | CXCR2 | Human | Chemokine | A | pIC50 | 5.0 | 5.0 | 5.0 | ChEMBL |
CCR2 | CCR2 | Human | Chemokine | A | pIC50 | 5.0 | 5.0 | 5.0 | ChEMBL |
CCR5 | CCR5 | Human | Chemokine | A | pIC50 | 6.0 | 6.0 | 6.0 | ChEMBL |