Compound Detail
CHEMBL305938
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Basic Information
| ChEMBL ID | CHEMBL305938 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HYIXVZHJZDSDBA-ZCFIWIBFSA-N |
5
Targets
6
Activities
2
Assay Types
0
PK Parameters
8
Publications
0
Known Names
Molecular Properties
203.3
MW (Da)
0.38
ALogP
3
HBA
2
HBD
57.6
PSA (Ų)
0.65
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 4 meas. best 5.34
IC50 2 meas. best 6.7
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Angiotensin-converting enzyme CHEMBL1808 | IC50 | 6.7 | 6.7 | 200.0 | 1 |
| Leishmania donovani CHEMBL367 | EC50 | 5.34 | 5.34 | 4590.0 | 1 |
| Leishmania major CHEMBL612879 | EC50 | 5.22 | 5.22 | 6060.0 | 1 |
| Trypanosoma brucei CHEMBL612849 | EC50 | 4.78 | 4.78 | 16700.0 | 1 |
| Trypanosoma cruzi CHEMBL368 | EC50 | 4.74 | 4.74 | 18200.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Angiotensin-converting enzyme | IC50 | = | 200.0 | nM | 6.7 | Inhibition of Angiotensin I converting enzyme | 2983076 |
| Leishmania donovani | EC50 | = | 4590.0 | nM | 5.34 | Antileishmanial activity against promastigote form of Leishmania donovani assess... | 39013490 |
| Leishmania major | EC50 | = | 6060.0 | nM | 5.22 | Antileishmanial activity against promastigote form of Leishmania major Freidlin ... | 39013490 |
| Trypanosoma brucei | EC50 | = | 16700.0 | nM | 4.78 | Antitrypanosomal activity against bloodstream trypomastigote form of Trypanosoma... | 39013490 |
| Trypanosoma cruzi | EC50 | = | 18200.0 | nM | 4.74 | Antitrypanosomal activity against epimastigote form of Trypanosoma cruzi CL Bren... | 39013490 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 8360884 | 10.1021/jm00068a017 | Angiotensin-converting enzyme | 1 |
| 2983076 | 10.1021/jm00381a021 | Angiotensin-converting enzyme | 1 |
| 26883147 | 10.1016/j.bmcl.2016.02.007 | Unchecked | 1 |
| 39013490 | 10.1016/j.bmcl.2024.129883 | HeLa | 1 |
| 39013490 | 10.1016/j.bmcl.2024.129883 | Trypanosoma brucei | 1 |
| 39013490 | 10.1016/j.bmcl.2024.129883 | Trypanosoma cruzi | 1 |
| 39013490 | 10.1016/j.bmcl.2024.129883 | Leishmania major | 1 |
| 39013490 | 10.1016/j.bmcl.2024.129883 | Leishmania donovani | 1 |
Data from ChEMBL 36 via Core Engine