Compound Detail
CHEMBL3318323
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O=C(Nc1ccc(Sc2ccc([N+](=O)[O-])cc2)cc1)O[C@@H](Cn1ccnc1)c1ccc(Cl)cc1
Basic Information
| ChEMBL ID | CHEMBL3318323 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | RMVSYBKSIWTOER-QHCPKHFHSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
495.0
MW (Da)
6.59
ALogP
7
HBA
1
HBD
99.3
PSA (Ų)
0.22
QED
1
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 8.6
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Trypanosoma cruzi CHEMBL368 | EC50 | 8.6 | 8.6 | 2.5 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Trypanosoma cruzi | EC50 | = | 2.5 | nM | 8.6 | Antitrypanosomal activity against Trypanosoma cruzi Tulahuen trypomastigotes exp... | 25033013 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 25033013 | 10.1021/jm500739f | Sterol 14-alpha demethylase | 2 |
| 25033013 | 10.1021/jm500739f | Trypanosoma cruzi | 2 |
Data from ChEMBL 36 via Core Engine