Compound Detail
CHEMBL3133889
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
Basic Information
| ChEMBL ID | CHEMBL3133889 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XKGRXBQGCQJOHQ-UHFFFAOYSA-N |
1
Targets
3
Activities
2
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
190.2
MW (Da)
1.51
ALogP
3
HBA
1
HBD
55.1
PSA (Ų)
0.80
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Kd 2 meas. best 10.82
IC50 1 meas. best 4.99
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Prolyl hydroxylase EGLN3 CHEMBL5705 | Kd | 10.82 | 10.575 | 0.0 | 2 |
| Prolyl hydroxylase EGLN3 CHEMBL5705 | IC50 | 4.99 | 4.99 | 10200.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Prolyl hydroxylase EGLN3 | Kd | = | 0.0152 | nM | 10.82 | Binding affinity to recombinant human PHD3-Fe2+ complex expressed in Escherichia... | - |
| Prolyl hydroxylase EGLN3 | Kd | = | 0.0469 | nM | 10.33 | Binding affinity to recombinant human PHD3-Fe2+ -NOG complex expressed in Escher... | - |
| Prolyl hydroxylase EGLN3 | IC50 | = | 10200.0 | nM | 4.99 | Inhibition of recombinant human PHD3 expressed in Escherichia coli using HIF19 p... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.1039/C3MD00117B | Prolyl hydroxylase EGLN3 | 11 |
| - | 10.1039/C3MD00117B | NCI-H446 | 2 |
Data from ChEMBL 36 via Core Engine