Compound Detail
CHEMBL223862
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Basic Information
| ChEMBL ID | CHEMBL223862 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LTJZINXKULUVGF-UHFFFAOYSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
421.5
MW (Da)
4.58
ALogP
4
HBA
3
HBD
95.9
PSA (Ų)
0.59
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 6.46
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| AGS CHEMBL613860 | IC50 | 6.46 | 6.46 | 350.0 | 1 |
| Hypoxia inducible factors; HIF-1-alpha, HIF-2-alpha CHEMBL2221345 | IC50 | 6.4 | 6.4 | 400.0 | 1 |
| Hypoxia-inducible factor 1-alpha CHEMBL4261 | IC50 | 5.51 | 5.51 | 3100.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| AGS | IC50 | = | 350.0 | nM | 6.46 | Inhibition of hypoxia induced HIF1 transcriptional activity in human AGS cells b... | 17328532 |
| Hypoxia inducible factors; HIF-1-alpha, HIF-2-alpha | IC50 | = | 400.0 | nM | 6.4 | Inhibition of hypoxia induced HIF1 transcriptional activity in human Hep3B cells... | 17328532 |
| Hypoxia-inducible factor 1-alpha | IC50 | = | 3100.0 | nM | 5.51 | Inhibition of hypoxia-induced HIF1alpha activation in human HeLa cells after 12 ... | 20083404 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 17328532 | 10.1021/jm0610292 | Hypoxia inducible factors; HIF-1-alpha, HIF-2-alpha | 1 |
| 17328532 | 10.1021/jm0610292 | AGS | 1 |
| 17328532 | 10.1021/jm0610292 | Hypoxia-inducible factor 1-alpha | 1 |
| 20083404 | 10.1016/j.bmcl.2009.12.037 | Hypoxia-inducible factor 1-alpha | 1 |
| 20083404 | 10.1016/j.bmcl.2009.12.037 | HeLa | 1 |
Data from ChEMBL 36 via Core Engine