CHEMBL2349312
SMILES | CC(C)C[C@H](CO)Nc1nc(S[C@@H](C)c2ccccc2)nc2[nH]c(=O)sc12 |
InChIKey | IAGWEZFSRRPOSS-GXTWGEPZSA-N |
Chemical properties
Hydrogen bond acceptors | 7 |
Hydrogen bond donors | 3 |
Rotatable bonds | 8 |
Molecular weight (Da) | 404.1 |
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 |
CX3CR1 | CX3C1 | Human | Chemokine | A | pKi | 8.11 | 8.11 | 8.11 | ChEMBL |
CXCR2 | CXCR2 | Human | Chemokine | A | pKi | 6.68 | 6.68 | 6.68 | ChEMBL |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |