Compound Detail
CHEMBL1163024
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Cc1ccc(N2C(=O)/C(=C/c3cc(Br)c(O)c([N+](=O)[O-])c3)SC2=S)c(C)c1
Basic Information
| ChEMBL ID | CHEMBL1163024 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | PLASDSQJWBHIEZ-NVNXTCNLSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
465.4
MW (Da)
5.09
ALogP
6
HBA
1
HBD
83.7
PSA (Ų)
0.29
QED
1
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 4.46
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 4.46 | 4.46 | 35000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 35000.0 | nM | 4.46 | Inhibition of Staphylococcus aureus sortase A deltaN59 mutant assessed as Dap(Dn... | 19781950 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 19781950 | 10.1016/j.bmc.2009.08.067 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine