Compound Detail
CHEMBL3908133
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Basic Information
| ChEMBL ID | CHEMBL3908133 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MUZXAFLZGRIPMT-CXUHLZMHSA-N |
3
Targets
4
Activities
2
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
256.3
MW (Da)
1.34
ALogP
5
HBA
2
HBD
87.5
PSA (Ų)
0.64
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 5.19
EC50 1 meas. best 4.26
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| NON-PROTEIN TARGET CHEMBL3879801 | IC50 | 5.19 | 5.155 | 6400.0 | 2 |
| Rattus norvegicus CHEMBL376 | IC50 | 4.64 | 4.64 | 22800.0 | 1 |
| H9c2 CHEMBL614576 | EC50 | 4.26 | 4.26 | 55300.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| NON-PROTEIN TARGET | IC50 | = | 6400.0 | nM | 5.19 | Cytotoxicity against human HL60 cells assessed as decrease in cell viability aft... | 27187862 |
| NON-PROTEIN TARGET | IC50 | = | 7600.0 | nM | 5.12 | Cytotoxicity against human MCF7 cells assessed as decrease in cell viability aft... | 27187862 |
| Rattus norvegicus | IC50 | = | 22800.0 | nM | 4.64 | Cytotoxicity against rat H9c2 cells assessed as decrease in cell viability after... | 27187862 |
| H9c2 | EC50 | = | 55300.0 | nM | 4.26 | Protection against H202-induced oxidative injury in rat H9c2 cells assessed as i... | 27187862 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 27187862 | 10.1016/j.ejmech.2016.05.015 | H9c2 | 3 |
| 27187862 | 10.1016/j.ejmech.2016.05.015 | MCF7 | 2 |
| 27187862 | 10.1016/j.ejmech.2016.05.015 | No relevant target | 2 |
| 27187862 | 10.1016/j.ejmech.2016.05.015 | NON-PROTEIN TARGET | 2 |
| 27187862 | 10.1016/j.ejmech.2016.05.015 | Rattus norvegicus | 1 |
Data from ChEMBL 36 via Core Engine