CHEMBL386072
SMILES | CCC(CC)(NS(=O)(=O)c1c(Cl)ccc(N/C(=N/C#N)Nc2ccccc2Br)c1O)N1CCC(N)CC1 |
InChIKey | MSJKBTMMJKJYHB-UHFFFAOYSA-N |
Chemical properties
Hydrogen bond acceptors | 7 |
Hydrogen bond donors | 5 |
Rotatable bonds | 8 |
Molecular weight (Da) | 611.1 |
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 |
CXCR1 | CXCR1 | Human | Chemokine | A | pIC50 | 6.73 | 6.73 | 6.73 | ChEMBL |
CXCR2 | CXCR2 | Human | Chemokine | A | pIC50 | 7.66 | 7.66 | 7.66 | ChEMBL |