Compound Detail
CHEMBL332005
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Basic Information
| ChEMBL ID | CHEMBL332005 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KVQMUHHSWICEIH-UHFFFAOYSA-N |
3
Targets
6
Activities
3
Assay Types
0
PK Parameters
7
Publications
0
Known Names
Molecular Properties
244.2
MW (Da)
1.54
ALogP
4
HBA
2
HBD
100.4
PSA (Ų)
0.85
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 6.73
Ki 2 meas. best 6.85
EC50 1 meas.
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Prolyl 4-hydroxylase subunit alpha-1 CHEMBL1250350 | Ki | 6.85 | 6.85 | 140.0 | 1 |
| Transmembrane prolyl 4-hydroxylase CHEMBL3047 | IC50 | 6.73 | 6.725 | 185.0 | 2 |
| Unchecked CHEMBL612545 | Ki | 6.73 | 6.73 | 185.0 | 1 |
| Prolyl 4-hydroxylase subunit alpha-1 CHEMBL1250350 | IC50 | 6.08 | 6.08 | 840.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Prolyl 4-hydroxylase subunit alpha-1 | Ki | = | 140.0 | nM | 6.85 | Inhibition of human human recombinant CP4H1 expressed in Escherichia coli Origam... | 26022078 |
| Transmembrane prolyl 4-hydroxylase | IC50 | = | 185.0 | nM | 6.73 | Inhibition of prolyl 4-hydroxylase by chromatographic determination of [14C]-suc... | 8254616 |
| Unchecked | Ki | = | 185.0 | nM | 6.73 | Inhibition of human collagen prolyl 4-hydroxylase | 26022078 |
| Transmembrane prolyl 4-hydroxylase | IC50 | = | 190.0 | nM | 6.72 | Inhibition of prolyl 4-hydroxylase by chromatographic determination of [14C]-suc... | 8254616 |
| Prolyl 4-hydroxylase subunit alpha-1 | IC50 | = | 840.0 | nM | 6.08 | Inhibition of human human recombinant CP4H1 expressed in Escherichia coli Origam... | 26022078 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 26022078 | 10.1016/j.bmc.2015.05.003 | Prolyl 4-hydroxylase subunit alpha-1 | 4 |
| 8254616 | 10.1021/jm00076a014 | Transmembrane prolyl 4-hydroxylase | 2 |
| 26022078 | 10.1016/j.bmc.2015.05.003 | No relevant target | 2 |
| - | 10.6019/CHEMBL4495565 | SARS-CoV-2 | 2 |
| 26022078 | 10.1016/j.bmc.2015.05.003 | Unchecked | 1 |
| 26022078 | 10.1016/j.bmc.2015.05.003 | Egl nine homolog 1 | 1 |
| - | 10.6019/CHEMBL4495564 | Replicase polyprotein 1ab | 1 |
Data from ChEMBL 36 via Core Engine