Compound Detail
CHEMBL3397246
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Basic Information
| ChEMBL ID | CHEMBL3397246 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | GDXWVNORFLSONI-UHFFFAOYSA-N |
2
Targets
3
Activities
2
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
267.3
MW (Da)
0.44
ALogP
6
HBA
2
HBD
92.2
PSA (Ų)
0.83
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 5.54
EC50 1 meas. best 4.65
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Leishmania amazonensis CHEMBL612877 | IC50 | 5.54 | 5.54 | 2900.0 | 1 |
| Trypanosoma cruzi CHEMBL368 | IC50 | 5.38 | 5.38 | 4200.0 | 1 |
| Trypanosoma cruzi CHEMBL368 | EC50 | 4.65 | 4.65 | 22600.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Leishmania amazonensis | IC50 | = | 2900.0 | nM | 5.54 | Antileishmanial activity against promastigote stage of Leishmania amazonensis WH... | 25461316 |
| Trypanosoma cruzi | IC50 | = | 4200.0 | nM | 5.38 | Antitrypanosomal activity against epimastigote stage of Trypanosoma cruzi Y afte... | 25461316 |
| Trypanosoma cruzi | EC50 | = | 22600.0 | nM | 4.65 | Antitrypanosomal activity against trypomastigote stage of Trypanosoma cruzi Y in... | 25461316 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 25461316 | 10.1016/j.ejmech.2014.11.018 | ADMET | 5 |
| 25461316 | 10.1016/j.ejmech.2014.11.018 | Trypanosoma cruzi | 2 |
| 25461316 | 10.1016/j.ejmech.2014.11.018 | Leishmania amazonensis | 1 |
Data from ChEMBL 36 via Core Engine