Compound Detail
CHEMBL5596258
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
Basic Information
| ChEMBL ID | CHEMBL5596258 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QIAJJGXZCRBHQT-SFYZADRCSA-N |
4
Targets
6
Activities
1
Assay Types
0
PK Parameters
7
Publications
0
Known Names
Molecular Properties
231.3
MW (Da)
1.06
ALogP
3
HBA
1
HBD
57.6
PSA (Ų)
0.79
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 6 meas. best 5.67
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Leishmania donovani CHEMBL367 | EC50 | 5.67 | 5.37 | 2140.0 | 3 |
| Leishmania major CHEMBL612879 | EC50 | 4.94 | 4.94 | 11600.0 | 1 |
| Trypanosoma brucei CHEMBL612849 | EC50 | 4.58 | 4.58 | 26300.0 | 1 |
| Trypanosoma cruzi CHEMBL368 | EC50 | 4.52 | 4.52 | 30200.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Leishmania donovani | EC50 | = | 2140.0 | nM | 5.67 | Antileishmanial activity against Leishmania donovani axenic amastigotes assessed... | 39013490 |
| Leishmania donovani | EC50 | = | 4210.0 | nM | 5.38 | Antileishmanial activity against Leishmania donovani amastigotes infected in hum... | 39013490 |
| Leishmania donovani | EC50 | = | 8640.0 | nM | 5.06 | Antileishmanial activity against promastigote form of Leishmania donovani assess... | 39013490 |
| Leishmania major | EC50 | = | 11600.0 | nM | 4.94 | Antileishmanial activity against promastigote form of Leishmania major Freidlin ... | 39013490 |
| Trypanosoma brucei | EC50 | = | 26300.0 | nM | 4.58 | Antitrypanosomal activity against bloodstream trypomastigote form of Trypanosoma... | 39013490 |
| Trypanosoma cruzi | EC50 | = | 30200.0 | nM | 4.52 | Antitrypanosomal activity against epimastigote form of Trypanosoma cruzi CL Bren... | 39013490 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 39013490 | 10.1016/j.bmcl.2024.129883 | Leishmania donovani | 3 |
| 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 | THP-1 | 1 |
| 39013490 | 10.1016/j.bmcl.2024.129883 | ADMET | 1 |
Data from ChEMBL 36 via Core Engine