Compound Detail
CHEMBL5397544
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O=[N+]([O-])c1ccc(/C=N/N=c2\[nH]c(-c3cccc(Cl)c3)nc3ccccc23)o1
Basic Information
| ChEMBL ID | CHEMBL5397544 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZLFSABNNJOWEEK-SRZZPIQSSA-N |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
393.8
MW (Da)
4.32
ALogP
6
HBA
1
HBD
109.7
PSA (Ų)
0.32
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 6.11
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Trypanosoma cruzi CHEMBL368 | IC50 | 6.11 | 6.11 | 770.0 | 1 |
| Leishmania infantum CHEMBL612848 | IC50 | 6.11 | 6.08 | 770.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Leishmania infantum | IC50 | = | 770.0 | nM | 6.11 | Antileishmanial activity against Leishmania infantum promastigotes | 37859724 |
| Trypanosoma cruzi | IC50 | = | 770.0 | nM | 6.11 | Antitrypanosomal activity against of Trypanosoma cruzi epimastigotes | 37859724 |
| Leishmania infantum | IC50 | = | 890.0 | nM | 6.05 | Antileishmanial activity against Leishmania infantum axenic amastigotes | 37859724 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 37859724 | 10.1039/d3md00243h | Leishmania infantum | 11 |
| 37859724 | 10.1039/d3md00243h | Trypanosoma cruzi | 10 |
| 37859724 | 10.1039/d3md00243h | ADMET | 8 |
| 37859724 | 10.1039/d3md00243h | No relevant target | 1 |
| 37859724 | 10.1039/d3md00243h | J774.1 | 1 |
Data from ChEMBL 36 via Core Engine