Compound Detail
CHEMBL89031
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Basic Information
| ChEMBL ID | CHEMBL89031 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VEPNNBWWMXMNJH-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
425.6
MW (Da)
8.32
ALogP
3
HBA
1
HBD
28.2
PSA (Ų)
0.19
QED
1
Ro5 Violations
11
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 6.8
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Leishmania major CHEMBL612879 | IC50 | 6.8 | 6.8 | 160.0 | 1 |
| Jurkat CHEMBL397 | IC50 | 5.64 | 5.64 | 2300.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Leishmania major | IC50 | = | 160.0 | nM | 6.8 | Concentration required to reduce incorporation of [3H]TdR in drug-treated cultur... | 9258370 |
| Jurkat | IC50 | = | 2300.0 | nM | 5.64 | Concentration required to reduce the growth of human Jurkat cells to 50% of cont... | 9258370 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 9258370 | 10.1021/jm970232h | Leishmania major | 2 |
| 9258370 | 10.1021/jm970232h | No relevant target | 1 |
| 9258370 | 10.1021/jm970232h | Jurkat | 1 |
| 9258370 | 10.1021/jm970232h | Leishmania donovani | 1 |
| 9258370 | 10.1021/jm970232h | Trypanosoma cruzi | 1 |
| 9258370 | 10.1021/jm970232h | Trypanosoma brucei | 1 |
Data from ChEMBL 36 via Core Engine