Compound Detail
CHEMBL373396
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Basic Information
| ChEMBL ID | CHEMBL373396 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WOELYKNPIBVROK-UHFFFAOYSA-N |
3
Targets
5
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
419.5
MW (Da)
4.96
ALogP
4
HBA
1
HBD
64.6
PSA (Ų)
0.67
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 5 meas. best 6.16
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Hypoxia-inducible factor 1-alpha CHEMBL4261 | IC50 | 6.16 | 5.68 | 700.0 | 3 |
| AGS CHEMBL613860 | IC50 | 5.13 | 5.13 | 7400.0 | 1 |
| Hypoxia inducible factors; HIF-1-alpha, HIF-2-alpha CHEMBL2221345 | IC50 | 5.0 | 5.0 | 9900.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Hypoxia-inducible factor 1-alpha | IC50 | = | 700.0 | nM | 6.16 | Inhibition of hypoxia induced HIF1-alpha transcriptional activity in human AGS c... | 17884495 |
| Hypoxia-inducible factor 1-alpha | IC50 | = | 2600.0 | nM | 5.58 | Inhibition of hypoxia induced HIF1-alpha transcriptional activity in human Hep3B... | 17884495 |
| Hypoxia-inducible factor 1-alpha | IC50 | = | 5030.0 | nM | 5.3 | Inhibition of HIF1alpha in human HCT116 cells under hypoxic condition after 16 h... | 23153200 |
| AGS | IC50 | = | 7400.0 | nM | 5.13 | Inhibition of hypoxia induced HIF1 transcriptional activity in human AGS cells b... | 17328532 |
| Hypoxia inducible factors; HIF-1-alpha, HIF-2-alpha | IC50 | = | 9900.0 | nM | 5.0 | Inhibition of hypoxia induced HIF1 transcriptional activity in human Hep3B cells... | 17328532 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 17884495 | 10.1016/j.bmcl.2007.09.005 | Hypoxia-inducible factor 1-alpha | 2 |
| 17328532 | 10.1021/jm0610292 | Hypoxia inducible factors; HIF-1-alpha, HIF-2-alpha | 1 |
| 17328532 | 10.1021/jm0610292 | AGS | 1 |
| 23153200 | 10.1021/jm301419d | HCT-116 | 1 |
| 23153200 | 10.1021/jm301419d | Hypoxia-inducible factor 1-alpha | 1 |
Data from ChEMBL 36 via Core Engine