Compound Detail
CHEMBL221013
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Basic Information
| ChEMBL ID | CHEMBL221013 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | RVKZEHLPYWKPFW-UHFFFAOYSA-N |
2
Targets
2
Activities
2
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
343.8
MW (Da)
3.34
ALogP
5
HBA
1
HBD
77.2
PSA (Ų)
0.74
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 5.42
IC50 1 meas. best 5.77
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Egl nine homolog 1 CHEMBL5697 | IC50 | 5.77 | 5.77 | 1700.0 | 1 |
| HEK293 CHEMBL614818 | EC50 | 5.42 | 5.42 | 3800.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Egl nine homolog 1 | IC50 | = | 1700.0 | nM | 5.77 | Inhibition of human EGLN1 | 16908145 |
| HEK293 | EC50 | = | 3800.0 | nM | 5.42 | Induction of human VEGF in HEK293 cells | 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