Compound Detail
CHEMBL523468
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Basic Information
| ChEMBL ID | CHEMBL523468 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | RIIRQZDHOJXXCR-UHFFFAOYSA-N |
4
Targets
7
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
363.4
MW (Da)
2.73
ALogP
7
HBA
2
HBD
106.0
PSA (Ų)
0.56
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 7 meas. best 6.5
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Leishmania donovani CHEMBL367 | IC50 | 6.5 | 5.575 | 316.2 | 4 |
| Trypanosoma cruzi CHEMBL368 | IC50 | 5.9 | 5.9 | 1258.9 | 1 |
| Human immunodeficiency virus type 1 integrase CHEMBL3471 | IC50 | 5.2 | 5.2 | 6300.0 | 1 |
| HepG2 CHEMBL395 | IC50 | 4.3 | 4.3 | 50118.7 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Leishmania donovani | IC50 | = | 316.23 | nM | 6.5 | GSK_TCAKS: pIC50 Leishmania donovani viability assay using fluorescence intensit... | - |
| Trypanosoma cruzi | IC50 | = | 1258.93 | nM | 5.9 | GSK_TCAKS: pIC50 Trypanosoma cruzi viability assay using beta-GAL activity. This... | - |
| Leishmania donovani | IC50 | = | 2511.89 | nM | 5.6 | GSK_TCAKS: pIC50 Leishmania donovani Imaging: Amastigotes/Macrophages. Assay pla... | - |
| Leishmania donovani | IC50 | = | 3162.28 | nM | 5.5 | GSK_TCAKS: pIC50 Leishmania donovani Imaging: Infected Macrophages. Assay plates... | - |
| Human immunodeficiency virus type 1 integrase | IC50 | = | 6300.0 | nM | 5.2 | Inhibition of HIV1 recombinant integrase strand transfer activity | 19217781 |
| Leishmania donovani | IC50 | = | 19952.62 | nM | 4.7 | GSK_TCAKS: pIC50 Leishmania donovani Imaging: THP-1 Host Macrophages. Assay plat... | - |
| HepG2 | IC50 | = | 50118.72 | nM | 4.3 | GSK_TCAKS: pIC50 HepG2 human cell line viability assay using luminiscence. Activ... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.6019/CHEMBL3430912 | Leishmania donovani | 4 |
| 19217781 | 10.1016/j.bmcl.2009.01.090 | Human immunodeficiency virus type 1 integrase | 1 |
| 19217781 | 10.1016/j.bmcl.2009.01.090 | Human immunodeficiency virus | 1 |
| - | 10.6019/CHEMBL3430912 | HepG2 | 1 |
| - | 10.6019/CHEMBL3430912 | Trypanosoma cruzi | 1 |
| - | 10.6019/CHEMBL3430912 | Sterol 14-alpha demethylase | 1 |
Data from ChEMBL 36 via Core Engine