Compound Detail
CHEMBL2042853
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Basic Information
| ChEMBL ID | CHEMBL2042853 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | OENWMSHFDNZIBX-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
5
PK Parameters
4
Publications
0
Known Names
Molecular Properties
459.6
MW (Da)
6.27
ALogP
3
HBA
0
HBD
36.4
PSA (Ų)
0.36
QED
1
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 9.3
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Egl nine homolog 1 CHEMBL5697 | IC50 | 9.3 | 8.85 | 0.5 | 2 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| AUC | 551.51 | ng.hr.mL-1 | Rattus norvegicus |
| CL | 30.0 | mL.min-1.kg-1 | Rattus norvegicus |
| Cmax | 79.0 | nM | Rattus norvegicus |
| F | 11.0 | % | Rattus norvegicus |
| T1/2 | 3.0 | hr | Rattus norvegicus |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Egl nine homolog 1 | IC50 | = | 0.5012 | nM | 9.3 | Inhibition of PHD2 (unknown origin) by HTRF assay | 24055079 |
| Egl nine homolog 1 | IC50 | = | 4.0 | nM | 8.4 | Inhibition of FLAG-tagged PHD2 expressed in baculovirus infected insect sf9 cell... | 22364528 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 22364528 | 10.1021/jm201542d | Rattus norvegicus | 6 |
| 22364528 | 10.1021/jm201542d | Egl nine homolog 1 | 1 |
| 22364528 | 10.1021/jm201542d | Mus musculus | 1 |
| 24055079 | 10.1016/j.bmc.2013.08.046 | Egl nine homolog 1 | 1 |
Data from ChEMBL 36 via Core Engine