Compound Detail
CHEMBL4471787
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Basic Information
| ChEMBL ID | CHEMBL4471787 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KZIHFSVXSLVMFY-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
310.3
MW (Da)
3.45
ALogP
3
HBA
1
HBD
55.1
PSA (Ų)
0.79
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.37
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Hypoxia-inducible factor 1-alpha CHEMBL4261 | IC50 | 5.37 | 5.37 | 4240.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Hypoxia-inducible factor 1-alpha | IC50 | = | 4240.0 | nM | 5.37 | Inhibition of HIF1alpha transcriptional activity in hypoxia-induced human HCCLM3... | 31556611 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 31556611 | 10.1021/acs.jmedchem.9b01313 | Hypoxia-inducible factor 1-alpha | 2 |
| 31556611 | 10.1021/acs.jmedchem.9b01313 | HCCLM3 | 2 |
Data from ChEMBL 36 via Core Engine