Compound Detail
CHEMBL595890
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CC1=NN(c2ccccc2)C(=S)/C1=C/Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]
Basic Information
| ChEMBL ID | CHEMBL595890 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | PYVRTTHQRUCCBV-GXDHUFHOSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
383.4
MW (Da)
4.02
ALogP
7
HBA
1
HBD
113.9
PSA (Ų)
0.36
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.17
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 5.17 | 5.17 | 6800.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 6800.0 | nM | 5.17 | 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