Compound Detail
CHEMBL3754324
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Basic Information
| ChEMBL ID | CHEMBL3754324 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QHZBBYLAKDGXAM-UHFFFAOYSA-N |
1
Targets
4
Activities
1
Assay Types
0
PK Parameters
19
Publications
0
Known Names
Molecular Properties
430.3
MW (Da)
5.26
ALogP
4
HBA
1
HBD
48.7
PSA (Ų)
0.61
QED
1
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 6.41
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| TRAF2 and NCK-interacting protein kinase CHEMBL4527 | IC50 | 6.41 | 5.94 | 394.0 | 4 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| TRAF2 and NCK-interacting protein kinase | IC50 | = | 394.0 | nM | 6.41 | Competitive inhibition of recombinant TNIK (unknown origin) using LRRKtide as su... | - |
| TRAF2 and NCK-interacting protein kinase | IC50 | = | 850.0 | nM | 6.07 | Inhibition of recombinant TNIK (unknown origin) using LRRKtide as substrate afte... | - |
| TRAF2 and NCK-interacting protein kinase | IC50 | = | 849.0 | nM | 6.07 | Competitive inhibition of recombinant TNIK (unknown origin) using LRRKtide as su... | - |
| TRAF2 and NCK-interacting protein kinase | IC50 | = | 6177.0 | nM | 5.21 | Competitive inhibition of recombinant TNIK (unknown origin) using LRRKtide as su... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.1039/C5MD00090D | TRAF2 and NCK-interacting protein kinase | 6 |
| - | 10.1039/C5MD00090D | Insulin-like growth factor 1 receptor | 1 |
| - | 10.1039/C5MD00090D | LoVo | 1 |
| - | 10.1039/C5MD00090D | NON-PROTEIN TARGET | 1 |
| - | 10.1039/C5MD00090D | NCI-H1703 | 1 |
| - | 10.1039/C5MD00090D | Tyrosine-protein kinase SYK | 1 |
| - | 10.1039/C5MD00090D | Serine/threonine-protein kinase pim-1 | 1 |
| - | 10.1039/C5MD00090D | Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform | 1 |
| - | 10.1039/C5MD00090D | Platelet-derived growth factor receptor beta | 1 |
| - | 10.1039/C5MD00090D | Vascular endothelial growth factor receptor 2 | 1 |
| - | 10.1039/C5MD00090D | Tyrosine-protein kinase JAK2 | 1 |
| - | 10.1039/C5MD00090D | Glycogen synthase kinase-3 | 1 |
| - | 10.1039/C5MD00090D | Receptor-type tyrosine-protein kinase FLT3 | 1 |
| - | 10.1039/C5MD00090D | Fibroblast growth factor receptor 2 | 1 |
| - | 10.1039/C5MD00090D | Fibroblast growth factor receptor 1 | 1 |
| - | 10.1039/C5MD00090D | Epidermal growth factor receptor | 1 |
| - | 10.1039/C5MD00090D | Tyrosine-protein kinase BTK | 1 |
| - | 10.1039/C5MD00090D | Aurora kinase A | 1 |
| - | 10.1039/C5MD00090D | ALK tyrosine kinase receptor | 1 |
Data from ChEMBL 36 via Core Engine