Compound Detail
CHEMBL4743037
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Basic Information
| ChEMBL ID | CHEMBL4743037 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | PAGVFNILEJANAP-UHFFFAOYSA-N |
3
Targets
4
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
328.2
MW (Da)
2.47
ALogP
5
HBA
0
HBD
81.3
PSA (Ų)
0.64
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 4.32
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Leishmania donovani CHEMBL367 | IC50 | 4.32 | 4.32 | 47700.0 | 1 |
| Trypanosoma cruzi CHEMBL368 | IC50 | 4.31 | 4.31 | 49390.0 | 1 |
| Trypanosoma brucei rhodesiense CHEMBL612348 | IC50 | 4.01 | 4.01 | 97700.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Leishmania donovani | IC50 | = | 47700.0 | nM | 4.32 | Antiprotozoal activity against Leishmania donovani MHOM/ET/67/L82 alamar blue st... | 27543881 |
| Trypanosoma cruzi | IC50 | = | 49390.0 | nM | 4.31 | Trypanocidal activity against Trypanosoma cruzi Tulahuen C4 amastigotes intra-pe... | 27543881 |
| Trypanosoma brucei rhodesiense | IC50 | = | 97700.0 | nM | 4.01 | Antiprotozoal activity against Trypanosoma brucei rhodesiense STIB900 trypomasti... | 27543881 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 27543881 | 10.1016/j.ejmech.2016.08.002 | Unchecked | 3 |
| 27543881 | 10.1016/j.ejmech.2016.08.002 | L6 | 1 |
| 27543881 | 10.1016/j.ejmech.2016.08.002 | Leishmania donovani | 1 |
| 27543881 | 10.1016/j.ejmech.2016.08.002 | Trypanosoma cruzi | 1 |
| 27543881 | 10.1016/j.ejmech.2016.08.002 | Trypanosoma brucei rhodesiense | 1 |
Data from ChEMBL 36 via Core Engine