Compound Detail
CHEMBL3794183
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Cc1c(C(=O)/C=C/c2ccc([N+](=O)[O-])o2)[n+]([O-])c2cc(Cl)ccc2[n+]1[O-]
Basic Information
| ChEMBL ID | CHEMBL3794183 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XOZOEVJNQAWSQZ-ZZXKWVIFSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
375.7
MW (Da)
2.47
ALogP
6
HBA
0
HBD
127.2
PSA (Ų)
0.17
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 4.87
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Mycobacterium tuberculosis CHEMBL360 | IC50 | 4.87 | 4.87 | 13500.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Mycobacterium tuberculosis | IC50 | = | 13500.0 | nM | 4.87 | Antimicrobial activity against Mycobacterium tuberculosis H37Rv ATCC 27294 incub... | 27025343 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 27025343 | 10.1016/j.bmcl.2016.03.066 | Mycobacterium tuberculosis | 3 |
Data from ChEMBL 36 via Core Engine