Compound Detail
CHEMBL4535040
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Basic Information
| ChEMBL ID | CHEMBL4535040 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YLVDJOXELSCRPM-UHFFFAOYSA-N |
4
Targets
6
Activities
2
Assay Types
0
PK Parameters
8
Publications
0
Known Names
Molecular Properties
410.5
MW (Da)
3.87
ALogP
4
HBA
3
HBD
104.0
PSA (Ų)
0.57
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 4 meas. best 8.07
IC50 2 meas. best 6.72
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| AP2-associated protein kinase 1 CHEMBL3830 | Ki | 8.07 | 8.07 | 8.5 | 1 |
| BMP-2-inducible protein kinase CHEMBL4522 | Ki | 7.77 | 7.77 | 17.0 | 1 |
| AP2-associated protein kinase 1 CHEMBL3830 | IC50 | 6.72 | 6.72 | 192.0 | 1 |
| Serine/threonine-protein kinase 16 CHEMBL3938 | Ki | 6.62 | 6.62 | 240.0 | 1 |
| BMP-2-inducible protein kinase CHEMBL4522 | IC50 | 6.15 | 6.15 | 707.0 | 1 |
| Cyclin-G-associated kinase CHEMBL4355 | Ki | 5.54 | 5.54 | 2900.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| AP2-associated protein kinase 1 | Ki | = | 8.5 | nM | 8.07 | Displacement of Alexafluor labelled kinase tracer236 from biotinylated C-termina... | 32184967 |
| BMP-2-inducible protein kinase | Ki | = | 17.0 | nM | 7.77 | Displacement of Alexafluor labelled kinase tracer236 from biotinylated C-termina... | 32184967 |
| AP2-associated protein kinase 1 | IC50 | = | 192.0 | nM | 6.72 | Inhibition of tracer K5 binding to N-terminal nano luciferase-fused AAK1 (unknow... | 32184967 |
| Serine/threonine-protein kinase 16 | Ki | = | 240.0 | nM | 6.62 | Displacement of Alexafluor labelled kinase tracer236 from biotinylated C-termina... | 32184967 |
| BMP-2-inducible protein kinase | IC50 | = | 707.0 | nM | 6.15 | Inhibition of tracer K5 binding to N-terminal nano luciferase-fused BMP2K (unkno... | 32184967 |
| Cyclin-G-associated kinase | Ki | = | 2900.0 | nM | 5.54 | Displacement of Alexafluor labelled kinase tracer236 from biotinylated C-termina... | 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 |
| 32184967 | 10.1021/acsmedchemlett.9b00399 | Unchecked | 2 |
| 32184967 | 10.1021/acsmedchemlett.9b00399 | U2OS | 1 |
| 39140040 | 10.1021/acsmedchemlett.4c00219 | Cyclin-dependent kinase-like 2 | 1 |
| 39140040 | 10.1021/acsmedchemlett.4c00219 | AP2-associated protein kinase 1 | 1 |
Data from ChEMBL 36 via Core Engine