Compound Detail
CHEMBL441860
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Basic Information
| ChEMBL ID | CHEMBL441860 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WLIOHDAQCIPKEZ-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
246.2
MW (Da)
0.75
ALogP
4
HBA
3
HBD
99.5
PSA (Ų)
0.74
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 5.3
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Egl nine homolog 1 CHEMBL5697 | IC50 | 5.3 | 5.3 | 5000.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Egl nine homolog 1 | IC50 | = | 5000.0 | nM | 5.3 | Inhibition of human EGLN1 | 16931007 |
| Egl nine homolog 1 | IC50 | = | 5000.0 | nM | 5.3 | Inhibition of PHD2 (unknown origin) | 23977883 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 16931007 | 10.1016/j.bmcl.2006.08.040 | Egl nine homolog 1 | 1 |
| 16931007 | 10.1016/j.bmcl.2006.08.040 | HEK293 | 1 |
| 23977883 | 10.1021/jm400386j | Egl nine homolog 1 | 1 |
Data from ChEMBL 36 via Core Engine