Compound Detail
CHEMBL2178407
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Basic Information
| ChEMBL ID | CHEMBL2178407 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LPLIRUZJZGGXSY-MDZDMXLPSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
431.5
MW (Da)
5.47
ALogP
4
HBA
1
HBD
64.6
PSA (Ų)
0.37
QED
1
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 6.13
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Hypoxia-inducible factor 1-alpha CHEMBL4261 | IC50 | 6.13 | 6.13 | 740.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Hypoxia-inducible factor 1-alpha | IC50 | = | 740.0 | nM | 6.13 | Inhibition of HIF1alpha in human HCT116 cells under hypoxic condition after 16 h... | 23153200 |
| Hypoxia-inducible factor 1-alpha | IC50 | = | 740.0 | nM | 6.13 | Inhibition of HIF-1alpha in human HCT116 cells incubated for 12 hrs under hypoxi... | 28991459 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 23153200 | 10.1021/jm301419d | No relevant target | 3 |
| 28991459 | 10.1021/acs.jmedchem.7b01231 | HCT-116 | 3 |
| 23153200 | 10.1021/jm301419d | HCT-116 | 1 |
| 23153200 | 10.1021/jm301419d | Hypoxia-inducible factor 1-alpha | 1 |
| 28991459 | 10.1021/acs.jmedchem.7b01231 | Hypoxia-inducible factor 1-alpha | 1 |
Data from ChEMBL 36 via Core Engine