Compound Detail
CHEMBL3593901
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Basic Information
| ChEMBL ID | CHEMBL3593901 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MREAOFDYHRBSRT-KXUQTAPDSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
247.3
MW (Da)
3.74
ALogP
1
HBA
1
HBD
29.1
PSA (Ų)
0.80
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 3 meas. best 6.68
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Alpha-synuclein CHEMBL6152 | Ki | 6.68 | 6.68 | 206.7 | 1 |
| Amyloid-beta precursor protein CHEMBL2487 | Ki | 6.57 | 6.57 | 266.8 | 1 |
| Microtubule-associated protein tau CHEMBL1293224 | Ki | 6.28 | 6.28 | 522.1 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Alpha-synuclein | Ki | = | 206.7 | nM | 6.68 | Displacement of Thio-T from recombinant alpha-synuclein (unknown origin) express... | 26177091 |
| Amyloid-beta precursor protein | Ki | = | 266.8 | nM | 6.57 | Displacement of Thio-T from amyloid beta (1 to 42) (unknown origin) expressed in... | 26177091 |
| Microtubule-associated protein tau | Ki | = | 522.1 | nM | 6.28 | Displacement of Thio-T from human recombinant tau (243 to 375) expressed in Esch... | 26177091 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 26177091 | 10.1021/acs.jmedchem.5b00571 | Alpha-synuclein | 1 |
| 26177091 | 10.1021/acs.jmedchem.5b00571 | Amyloid-beta precursor protein | 1 |
| 26177091 | 10.1021/acs.jmedchem.5b00571 | Microtubule-associated protein tau | 1 |
Data from ChEMBL 36 via Core Engine