Compound Detail
CHEMBL2316157
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Basic Information
| ChEMBL ID | CHEMBL2316157 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LCTMHSXNDBNPAF-GCBPPVMSSA-N |
4
Targets
5
Activities
2
Assay Types
0
PK Parameters
7
Publications
0
Known Names
Molecular Properties
394.5
MW (Da)
4.94
ALogP
5
HBA
0
HBD
54.0
PSA (Ų)
0.65
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 5.7
EC50 1 meas. best 5.28
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Epidermal growth factor receptor CHEMBL203 | IC50 | 5.7 | 5.69 | 2000.0 | 2 |
| NON-PROTEIN TARGET CHEMBL3879801 | IC50 | 5.33 | 5.33 | 4710.0 | 1 |
| Nuclear factor erythroid 2-related factor 2 CHEMBL1075094 | EC50 | 5.28 | 5.28 | 5300.0 | 1 |
| HepG2 CHEMBL395 | IC50 | 5.07 | 5.07 | 8560.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Epidermal growth factor receptor | IC50 | = | 2000.0 | nM | 5.7 | Inhibition of EGFR cytoplasmic domain (amino acids 645 to 1186) (unknown origin)... | 23245570 |
| Epidermal growth factor receptor | IC50 | = | 2080.0 | nM | 5.68 | Time-Resolved Fluorescence Assay: The kinase activity of EGFR was detected accor... | - |
| NON-PROTEIN TARGET | IC50 | = | 4710.0 | nM | 5.33 | Antiproliferative activity against human A16-F10 cells after 48 hrs by MTT assay | 23245570 |
| Nuclear factor erythroid 2-related factor 2 | EC50 | = | 5300.0 | nM | 5.28 | Activation of Nrf2 (unknown origin) expressed in human HepG2 cells after 5 hrs b... | 29223100 |
| HepG2 | IC50 | = | 8560.0 | nM | 5.07 | Antiproliferative activity against human HepG2 cells after 48 hrs by MTT assay | 23245570 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 29223100 | 10.1016/j.ejmech.2017.11.048 | Nuclear factor erythroid 2-related factor 2 | 2 |
| 23245570 | 10.1016/j.bmc.2012.11.031 | Epidermal growth factor receptor | 1 |
| 23245570 | 10.1016/j.bmc.2012.11.031 | NON-PROTEIN TARGET | 1 |
| 23245570 | 10.1016/j.bmc.2012.11.031 | HepG2 | 1 |
| 29223100 | 10.1016/j.ejmech.2017.11.048 | Luciferin 4-monooxygenase | 1 |
| 36608774 | 10.1016/j.bmcl.2023.129123 | Trypanosoma brucei | 1 |
| 36608774 | 10.1016/j.bmcl.2023.129123 | HEK293 | 1 |
Data from ChEMBL 36 via Core Engine