CHEMBL2322875
SMILES | COc1cc(N2CCN(C(=O)Cn3nc(C(F)(F)F)c(Cl)c3C)CC2)ccc1Cl |
InChIKey | PTHJVFQTMJMDKU-UHFFFAOYSA-N |
Chemical properties
Hydrogen bond acceptors | 5 |
Hydrogen bond donors | 0 |
Rotatable bonds | 4 |
Molecular weight (Da) | 450.1 |
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 |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
CCR1 | CCR1 | Mouse | Chemokine | A | pIC50 | 5.52 | 5.79 | 6.05 | ChEMBL |
CCR1 | CCR1 | Human | Chemokine | A | pIC50 | 7.82 | 8.34 | 9.1 | ChEMBL |