Compound Detail
CHEMBL3133888
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Basic Information
| ChEMBL ID | CHEMBL3133888 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KIJGYTNIFKJHJQ-UHFFFAOYSA-N |
1
Targets
2
Activities
2
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
141.1
MW (Da)
-0.25
ALogP
4
HBA
1
HBD
68.0
PSA (Ų)
0.63
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 4.47
Kd 1 meas. best 10.11
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Prolyl hydroxylase EGLN3 CHEMBL5705 | Kd | 10.11 | 10.11 | 0.1 | 1 |
| Prolyl hydroxylase EGLN3 CHEMBL5705 | IC50 | 4.47 | 4.47 | 33500.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Prolyl hydroxylase EGLN3 | Kd | = | 0.0784 | nM | 10.11 | Binding affinity to recombinant human PHD3-Fe2+ complex expressed in Escherichia... | - |
| Prolyl hydroxylase EGLN3 | IC50 | = | 33500.0 | nM | 4.47 | 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 | 10 |
| - | 10.1039/C3MD00117B | NCI-H446 | 2 |
Data from ChEMBL 36 via Core Engine