Compound Detail
CHEMBL482244
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COC(=O)c1c(NCCc2ccc(S(N)(=O)=O)cc2)n(-c2ccccc2)c(=S)n(-c2ccccc2)c1=O
Basic Information
| ChEMBL ID | CHEMBL482244 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | IVZXRINVYCVDJL-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
536.6
MW (Da)
3.45
ALogP
9
HBA
2
HBD
125.4
PSA (Ų)
0.26
QED
1
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 7.97
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Neutrophil CHEMBL613710 | IC50 | 7.97 | 7.97 | 10.8 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Neutrophil | IC50 | = | 10.79 | nM | 7.97 | Inhibition of chemotaxis in human neutrophils assessed as inhibition of IL8-indu... | 19394230 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 19394230 | 10.1016/j.bmc.2009.04.006 | Neutrophil | 3 |
| 19394230 | 10.1016/j.bmc.2009.04.006 | ADMET | 1 |
Data from ChEMBL 36 via Core Engine