Compound Detail
CHEMBL3186774
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Basic Information
| ChEMBL ID | CHEMBL3186774 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | CAOSCCRYLYQBES-UHFFFAOYSA-N |
3
Targets
4
Activities
1
Assay Types
0
PK Parameters
20
Publications
0
Known Names
Molecular Properties
352.4
MW (Da)
1.57
ALogP
5
HBA
3
HBD
108.6
PSA (Ų)
0.65
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 7.66
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Egl nine homolog 1 CHEMBL5697 | IC50 | 7.66 | 7.66 | 22.0 | 2 |
| Prolyl 4-hydroxylase CHEMBL4523368 | IC50 | 5.07 | 5.07 | 8500.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 4.78 | 4.78 | 16595.9 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Egl nine homolog 1 | IC50 | = | 22.0 | nM | 7.66 | Inhibition of recombinant human PHD2 by alphascreen assay | 30737136 |
| Egl nine homolog 1 | IC50 | = | 22.0 | nM | 7.66 | Inhibition of human PHD2 | 30682255 |
| Prolyl 4-hydroxylase | IC50 | = | 8500.0 | nM | 5.07 | Inhibition of N-terminal His6-tagged recombinant Paramecium bursaria chlorella v... | 30737136 |
| Unchecked | IC50 | = | 16595.87 | nM | 4.78 | Inhibition of N-terminal His-tagged recombinant human TET2 catalytic domain LCId... | 38294854 |
Literature References
Data from ChEMBL 36 via Core Engine