Compound Detail
CHEMBL4472438
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Basic Information
| ChEMBL ID | CHEMBL4472438 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | INTMVZKGQXMUML-UHFFFAOYSA-N |
4
Targets
6
Activities
2
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
441.6
MW (Da)
3.25
ALogP
4
HBA
3
HBD
107.2
PSA (Ų)
0.47
QED
0
Ro5 Violations
9
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 4 meas. best 7.48
IC50 2 meas. best 5.83
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| AP2-associated protein kinase 1 CHEMBL3830 | Ki | 7.48 | 7.48 | 33.0 | 1 |
| BMP-2-inducible protein kinase CHEMBL4522 | Ki | 7.13 | 7.13 | 74.0 | 1 |
| Serine/threonine-protein kinase 16 CHEMBL3938 | Ki | 6.66 | 6.66 | 220.0 | 1 |
| AP2-associated protein kinase 1 CHEMBL3830 | IC50 | 5.83 | 5.83 | 1470.0 | 1 |
| Cyclin-G-associated kinase CHEMBL4355 | Ki | 5.5 | 5.5 | 3200.0 | 1 |
| BMP-2-inducible protein kinase CHEMBL4522 | IC50 | 5.42 | 5.42 | 3830.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| AP2-associated protein kinase 1 | Ki | = | 33.0 | nM | 7.48 | Displacement of Alexafluor labelled kinase tracer236 from biotinylated C-termina... | 32184967 |
| BMP-2-inducible protein kinase | Ki | = | 74.0 | nM | 7.13 | Displacement of Alexafluor labelled kinase tracer236 from biotinylated C-termina... | 32184967 |
| Serine/threonine-protein kinase 16 | Ki | = | 220.0 | nM | 6.66 | Displacement of Alexafluor labelled kinase tracer236 from biotinylated C-termina... | 32184967 |
| AP2-associated protein kinase 1 | IC50 | = | 1470.0 | nM | 5.83 | Inhibition of tracer K5 binding to N-terminal nano luciferase-fused AAK1 (unknow... | 32184967 |
| Cyclin-G-associated kinase | Ki | = | 3200.0 | nM | 5.5 | Displacement of Alexafluor labelled kinase tracer236 from biotinylated C-termina... | 32184967 |
| BMP-2-inducible protein kinase | IC50 | = | 3830.0 | nM | 5.42 | Inhibition of tracer K5 binding to N-terminal nano luciferase-fused BMP2K (unkno... | 32184967 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 32184967 | 10.1021/acsmedchemlett.9b00399 | AP2-associated protein kinase 1 | 2 |
| 32184967 | 10.1021/acsmedchemlett.9b00399 | BMP-2-inducible protein kinase | 2 |
| 32184967 | 10.1021/acsmedchemlett.9b00399 | Cyclin-G-associated kinase | 2 |
| 32184967 | 10.1021/acsmedchemlett.9b00399 | Serine/threonine-protein kinase 16 | 2 |
Data from ChEMBL 36 via Core Engine