Compound Detail
CHEMBL5596985
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Basic Information
| ChEMBL ID | CHEMBL5596985 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VBVLZADPBRUAGF-QMMMGPOBSA-N |
4
Targets
4
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
199.2
MW (Da)
1.11
ALogP
2
HBA
1
HBD
57.6
PSA (Ų)
0.74
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 4 meas. best 5.69
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Leishmania donovani CHEMBL367 | EC50 | 5.69 | 5.69 | 2030.0 | 1 |
| Leishmania major CHEMBL612879 | EC50 | 5.65 | 5.65 | 2260.0 | 1 |
| Trypanosoma brucei CHEMBL612849 | EC50 | 5.61 | 5.61 | 2460.0 | 1 |
| Trypanosoma cruzi CHEMBL368 | EC50 | 4.76 | 4.76 | 17400.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Leishmania donovani | EC50 | = | 2030.0 | nM | 5.69 | Antileishmanial activity against promastigote form of Leishmania donovani assess... | 39013490 |
| Leishmania major | EC50 | = | 2260.0 | nM | 5.65 | Antileishmanial activity against promastigote form of Leishmania major Freidlin ... | 39013490 |
| Trypanosoma brucei | EC50 | = | 2460.0 | nM | 5.61 | Antitrypanosomal activity against bloodstream trypomastigote form of Trypanosoma... | 39013490 |
| Trypanosoma cruzi | EC50 | = | 17400.0 | nM | 4.76 | 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 | 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