VU0152100
SMILES | COc1ccc(cc1)CNC(=O)c1sc2c(c1N)c(C)cc(n2)C |
InChIKey | MDNWGCQSCGNTKH-UHFFFAOYSA-N |
Chemical properties
Hydrogen bond acceptors | 5 |
Hydrogen bond donors | 2 |
Rotatable bonds | 4 |
Molecular weight (Da) | 341.1 |
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 | 9.0 | 9.0 | 9.0 | ChEMBL |
CXCR2 | CXCR2 | Human | Chemokine | A | pIC50 | 7.0 | 8.0 | 9.0 | ChEMBL |
CXCR2 | CXCR2 | Human | Chemokine | A | pIC50 | 6.4 | 6.4 | 6.4 | Guide to Pharmacology |