Compound Detail
CHEMBL2324293
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O=C(O)COc1cc(Cl)c(C(=O)Nc2cccc(-c3nc4ccccc4s3)c2)cc1[N+](=O)[O-]
Basic Information
| ChEMBL ID | CHEMBL2324293 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WGQAQJOCVMOOON-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
7
Publications
0
Known Names
Molecular Properties
483.9
MW (Da)
5.24
ALogP
7
HBA
2
HBD
131.7
PSA (Ų)
0.27
QED
1
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 6.1
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Trypanosoma brucei brucei CHEMBL612851 | EC50 | 6.1 | 6.1 | 800.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Trypanosoma brucei brucei | EC50 | = | 800.0 | nM | 6.1 | Antitrypanosomal activity against Trypanosoma brucei brucei 221 after 48 hrs by ... | 23484493 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 23484493 | 10.1021/jm301687p | No relevant target | 1 |
| 23484493 | 10.1021/jm301687p | Trypanosoma brucei brucei | 1 |
| 23484493 | 10.1021/jm301687p | HepG2 | 1 |
| 23484493 | 10.1021/jm301687p | BJ | 1 |
| 23484493 | 10.1021/jm301687p | Raji | 1 |
| 23484493 | 10.1021/jm301687p | HEK293 | 1 |
| 23484493 | 10.1021/jm301687p | ADMET | 1 |
Data from ChEMBL 36 via Core Engine