Compound Detail
CHEMBL475957
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
O=C(Nc1ccc([N+](=O)[O-])cc1)Nc1ccc(S(=O)(=O)Nc2ccc(Cl)c(Cl)c2)cc1
Basic Information
| ChEMBL ID | CHEMBL475957 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BFCSQVMVMNEDEY-UHFFFAOYSA-N |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
481.3
MW (Da)
5.35
ALogP
5
HBA
3
HBD
130.4
PSA (Ų)
0.32
QED
1
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 5.19
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 5.19 | 5.19 | 6400.0 | 1 |
| NH(3)-dependent NAD(+) synthetase CHEMBL5271 | IC50 | 5.0 | 5.0 | 10000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 6400.0 | nM | 5.19 | Inhibition of Bacillus anthracis NadE using guanidine-HCl as substrate after 10 ... | 28827112 |
| NH(3)-dependent NAD(+) synthetase | IC50 | = | 10000.0 | nM | 5.0 | Inhibition of Bacillus anthracis NAD synthetase | 19249205 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 28827112 | 10.1016/j.bmcl.2017.08.012 | Unchecked | 2 |
| 28827112 | 10.1016/j.bmcl.2017.08.012 | Mycobacterium tuberculosis | 2 |
| 19249205 | 10.1016/j.bmcl.2009.02.034 | Bacillus anthracis | 1 |
| 19249205 | 10.1016/j.bmcl.2009.02.034 | NH(3)-dependent NAD(+) synthetase | 1 |
Data from ChEMBL 36 via Core Engine