Compound Detail
CHEMBL4167612
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Basic Information
| ChEMBL ID | CHEMBL4167612 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HBHNSMCYSQLEOL-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
235.2
MW (Da)
-0.15
ALogP
5
HBA
3
HBD
103.9
PSA (Ų)
0.69
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 4.8
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Egl nine homolog 1 CHEMBL5697 | IC50 | 4.8 | 4.8 | 16000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Egl nine homolog 1 | IC50 | = | 16000.0 | nM | 4.8 | Inhibition of human HIF-PHD2 assessed as reduction in HIF1-alpha binding to VBC ... | 29259755 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 29259755 | 10.1021/acsmedchemlett.7b00404 | Egl nine homolog 1 | 2 |
| 29259755 | 10.1021/acsmedchemlett.7b00404 | ADMET | 1 |
Data from ChEMBL 36 via Core Engine