Compound Detail
CHEMBL222114
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Basic Information
| ChEMBL ID | CHEMBL222114 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | PUDPFAQGRSUVMS-UHFFFAOYSA-N |
2
Targets
2
Activities
2
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
339.4
MW (Da)
2.69
ALogP
6
HBA
1
HBD
86.5
PSA (Ų)
0.71
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 6.0
IC50 1 meas. best 5.62
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| HEK293 CHEMBL614818 | EC50 | 6.0 | 6.0 | 1000.0 | 1 |
| Egl nine homolog 1 CHEMBL5697 | IC50 | 5.62 | 5.62 | 2400.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| HEK293 | EC50 | = | 1000.0 | nM | 6.0 | Induction of human VEGF in HEK293 cells | 16908145 |
| Egl nine homolog 1 | IC50 | = | 2400.0 | nM | 5.62 | Inhibition of human EGLN1 | 16908145 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 16908145 | 10.1016/j.bmcl.2006.08.017 | Egl nine homolog 1 | 1 |
| 16908145 | 10.1016/j.bmcl.2006.08.017 | HEK293 | 1 |
Data from ChEMBL 36 via Core Engine