Compound Detail
CHEMBL4218636
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Basic Information
| ChEMBL ID | CHEMBL4218636 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | IFJBQEBQNMXRBX-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
369.4
MW (Da)
4.15
ALogP
5
HBA
1
HBD
66.0
PSA (Ų)
0.86
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.69
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Hypoxia-inducible factor 1-alpha CHEMBL4261 | IC50 | 5.69 | 5.69 | 2040.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Hypoxia-inducible factor 1-alpha | IC50 | = | 2040.0 | nM | 5.69 | Inhibition of HIF-1alpha in human HRE-A549 cells pre-incubated for 1 hr before e... | 30252468 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 30252468 | 10.1021/acs.jmedchem.8b00971 | Hypoxia-inducible factor 1-alpha | 1 |
| 30827868 | 10.1016/j.bmc.2019.02.040 | Heat shock protein HSP90 | 1 |
Data from ChEMBL 36 via Core Engine