Compound Detail
CHEMBL2153503
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Basic Information
| ChEMBL ID | CHEMBL2153503 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JBYAETKFTXZVJF-NRFANRHFSA-N |
3
Targets
4
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
348.4
MW (Da)
2.76
ALogP
5
HBA
1
HBD
84.6
PSA (Ų)
0.86
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 5.92
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Hypoxia inducible factors; HIF-1-alpha, HIF-2-alpha CHEMBL2221345 | IC50 | 5.92 | 5.845 | 1200.0 | 2 |
| T47D CHEMBL614361 | IC50 | 5.44 | 5.44 | 3600.0 | 1 |
| MDA-MB-231 CHEMBL400 | IC50 | 5.19 | 5.19 | 6500.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Hypoxia inducible factors; HIF-1-alpha, HIF-2-alpha | IC50 | = | 1200.0 | nM | 5.92 | Inhibition of 1,10-phenanthroline-induced HIF1 activation in human T47D cells af... | 22938093 |
| Hypoxia inducible factors; HIF-1-alpha, HIF-2-alpha | IC50 | = | 1700.0 | nM | 5.77 | Inhibition of hypoxia-induced HIF1 activation in human T47D cells after 16 hrs b... | 22938093 |
| T47D | IC50 | = | 3600.0 | nM | 5.44 | Cytotoxicity against human T47D cells after 48 hrs by SRB assay | 22938093 |
| MDA-MB-231 | IC50 | = | 6500.0 | nM | 5.19 | Cytotoxicity against human MDA-MB-231 cells after 48 hrs by SRB assay | 22938093 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 22938093 | 10.1021/np3002892 | T47D | 5 |
| 22938093 | 10.1021/np3002892 | Hypoxia inducible factors; HIF-1-alpha, HIF-2-alpha | 4 |
| 22938093 | 10.1021/np3002892 | Hep 3B2 | 2 |
| 22938093 | 10.1021/np3002892 | MDA-MB-231 | 1 |
Data from ChEMBL 36 via Core Engine