Compound Detail
CHEMBL217943
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Basic Information
| ChEMBL ID | CHEMBL217943 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BMYUTWKKELIBCE-UHFFFAOYSA-N |
2
Targets
2
Activities
2
Assay Types
2
PK Parameters
3
Publications
0
Known Names
Molecular Properties
278.3
MW (Da)
2.87
ALogP
3
HBA
2
HBD
62.2
PSA (Ų)
0.77
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 6.05
IC50 1 meas. best 5.38
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| HEK293 CHEMBL614818 | EC50 | 6.05 | 6.05 | 890.0 | 1 |
| Egl nine homolog 1 CHEMBL5697 | IC50 | 5.38 | 5.38 | 4200.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| CL | 22.77 | uL.min-1.(10^6cells)-1 | Rattus norvegicus |
| CL | 49.0 | mL.min-1.g-1 | Homo sapiens |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| HEK293 | EC50 | = | 890.0 | nM | 6.05 | Induction of VEGF in HEK293 cells by ELISA | 16931007 |
| Egl nine homolog 1 | IC50 | = | 4200.0 | nM | 5.38 | Inhibition of human EGLN1 | 16931007 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.6019/CHEMBL3301361 | ADMET | 3 |
| 16931007 | 10.1016/j.bmcl.2006.08.040 | Egl nine homolog 1 | 1 |
| 16931007 | 10.1016/j.bmcl.2006.08.040 | HEK293 | 1 |
Data from ChEMBL 36 via Core Engine