Compound Detail
CHEMBL86921
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Basic Information
| ChEMBL ID | CHEMBL86921 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | TUNFCKFZFPSXAU-VBKFSLOCSA-N |
4
Targets
4
Activities
2
Assay Types
0
PK Parameters
8
Publications
0
Known Names
Molecular Properties
278.4
MW (Da)
3.27
ALogP
2
HBA
0
HBD
23.6
PSA (Ų)
0.79
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 3 meas. best 6.81
IC50 1 meas. best 4.65
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Amyloid-beta precursor protein CHEMBL2487 | Ki | 6.81 | 6.81 | 155.1 | 1 |
| Alpha-synuclein CHEMBL6152 | Ki | 6.29 | 6.29 | 507.6 | 1 |
| Microtubule-associated protein tau CHEMBL1293224 | Ki | 6.21 | 6.21 | 617.6 | 1 |
| Vascular endothelial growth factor receptor 1 CHEMBL3516 | IC50 | 4.65 | 4.65 | 22600.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Amyloid-beta precursor protein | Ki | = | 155.1 | nM | 6.81 | Displacement of Thio-T from amyloid beta (1 to 42) (unknown origin) expressed in... | 26177091 |
| Alpha-synuclein | Ki | = | 507.6 | nM | 6.29 | Displacement of Thio-T from recombinant alpha-synuclein (unknown origin) express... | 26177091 |
| Microtubule-associated protein tau | Ki | = | 617.6 | nM | 6.21 | Displacement of Thio-T from human recombinant tau (243 to 375) expressed in Esch... | 26177091 |
| Vascular endothelial growth factor receptor 1 | IC50 | = | 22600.0 | nM | 4.65 | Concentration required to achieve 50% inhibition of tyrosine phosphorylation on ... | 9651163 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 9651163 | 10.1021/jm980123i | Platelet-derived growth factor receptor beta | 1 |
| 9651163 | 10.1021/jm980123i | Vascular endothelial growth factor receptor 1 | 1 |
| 9651163 | 10.1021/jm980123i | Epidermal growth factor receptor | 1 |
| 9651163 | 10.1021/jm980123i | Receptor tyrosine-protein kinase erbB-2 | 1 |
| 9651163 | 10.1021/jm980123i | Insulin-like growth factor 1 receptor | 1 |
| 26177091 | 10.1021/acs.jmedchem.5b00571 | Amyloid-beta precursor protein | 1 |
| 26177091 | 10.1021/acs.jmedchem.5b00571 | Alpha-synuclein | 1 |
| 26177091 | 10.1021/acs.jmedchem.5b00571 | Microtubule-associated protein tau | 1 |
Data from ChEMBL 36 via Core Engine