Compound Detail
CHEMBL477053
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Basic Information
| ChEMBL ID | CHEMBL477053 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | RCZMPCUUTSDNAJ-PHEQNACWSA-N |
3
Targets
4
Activities
2
Assay Types
0
PK Parameters
12
Publications
0
Known Names
Molecular Properties
294.4
MW (Da)
4.00
ALogP
3
HBA
0
HBD
35.5
PSA (Ų)
0.76
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 2 meas. best 5.66
IC50 2 meas. best 4.13
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Transcription factor EB CHEMBL6067602 | EC50 | 5.66 | 5.66 | 2167.0 | 1 |
| Nuclear factor erythroid 2-related factor 2 CHEMBL1075094 | EC50 | 5.48 | 5.48 | 3300.0 | 1 |
| Plasmodium falciparum CHEMBL364 | IC50 | 4.13 | 4.13 | 74740.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Transcription factor EB | EC50 | = | 2167.0 | nM | 5.66 | Binding affinity to full length N-terminal his6-tagged human TFEB expressed in E... | 37595546 |
| Nuclear factor erythroid 2-related factor 2 | EC50 | = | 3300.0 | nM | 5.48 | Activation of Nrf2 (unknown origin) expressed in human HepG2 cells after 5 hrs b... | 29223100 |
| Plasmodium falciparum | IC50 | = | 74740.0 | nM | 4.13 | Antiplasmodial activity against blood stage of chloroquine-sensitive Plasmodium ... | 21493068 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 21493068 | 10.1016/j.bmcl.2011.03.037 | Plasmodium falciparum | 2 |
| 29223100 | 10.1016/j.ejmech.2017.11.048 | Nuclear factor erythroid 2-related factor 2 | 2 |
| 19243951 | 10.1016/j.bmc.2008.10.044 | KB | 1 |
| 19243951 | 10.1016/j.bmc.2008.10.044 | HL-60 | 1 |
| 19243951 | 10.1016/j.bmc.2008.10.044 | HeLa | 1 |
| 19243951 | 10.1016/j.bmc.2008.10.044 | No relevant target | 1 |
| 20060305 | 10.1016/j.bmc.2009.12.045 | HCT-116 | 1 |
| 21493068 | 10.1016/j.bmcl.2011.03.037 | HeLa | 1 |
| 29223100 | 10.1016/j.ejmech.2017.11.048 | Luciferin 4-monooxygenase | 1 |
| 32172081 | 10.1016/j.ejmech.2020.112177 | MDA-MB-231 | 1 |
| 32172081 | 10.1016/j.ejmech.2020.112177 | RPMI-7951 | 1 |
| 37595546 | 10.1016/j.ejmech.2023.115722 | Transcription factor EB | 1 |
Data from ChEMBL 36 via Core Engine