Compound Detail
CHEMBL3430988
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Basic Information
| ChEMBL ID | CHEMBL3430988 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | PHFUIZJZVYGZEZ-BDPMCISCSA-N |
3
Targets
6
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
389.5
MW (Da)
2.27
ALogP
7
HBA
0
HBD
89.7
PSA (Ų)
0.67
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 6 meas. best 6.5
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Trypanosoma cruzi CHEMBL368 | IC50 | 6.5 | 6.4 | 316.2 | 3 |
| Leishmania donovani CHEMBL367 | IC50 | 6.4 | 5.8 | 398.1 | 2 |
| Sterol 14-alpha demethylase CHEMBL1075110 | IC50 | 4.6 | 4.6 | 25118.9 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Trypanosoma cruzi | IC50 | = | 316.23 | nM | 6.5 | GSK_TCAKS: pIC50 Trypanosoma cruzi Imaging: Infected Cells. H9c2 cells were seed... | - |
| Trypanosoma cruzi | IC50 | = | 316.23 | nM | 6.5 | GSK_TCAKS: pIC50 Trypanosoma cruzi Imaging: Amastigotes/Cell. H9c2 cells were se... | - |
| Leishmania donovani | IC50 | = | 398.11 | nM | 6.4 | GSK_TCAKS: pIC50 Leishmania donovani viability assay using fluorescence intensit... | - |
| Trypanosoma cruzi | IC50 | = | 630.96 | nM | 6.2 | GSK_TCAKS: pIC50 Trypanosoma cruzi viability assay using beta-GAL activity. This... | - |
| Leishmania donovani | IC50 | = | 6309.57 | nM | 5.2 | GSK_TCAKS: pIC50 Leishmania donovani Imaging: Amastigotes/Macrophages. Assay pla... | - |
| Sterol 14-alpha demethylase | IC50 | = | 25118.86 | nM | 4.6 | GSK_TCAKS: pIC50 CYP51 from Trypanosoma cruzi. | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.6019/CHEMBL3430912 | Trypanosoma cruzi | 4 |
| - | 10.6019/CHEMBL3430912 | Leishmania donovani | 4 |
| - | 10.6019/CHEMBL3430912 | Trypanosoma brucei brucei | 2 |
| - | 10.6019/CHEMBL3430912 | HepG2 | 1 |
| - | 10.6019/CHEMBL3430912 | NIH3T3 | 1 |
| - | 10.6019/CHEMBL3430912 | Sterol 14-alpha demethylase | 1 |
Data from ChEMBL 36 via Core Engine