Compound Detail
CHEMBL224392
THIOFLAVIN T Enter ChEMBL ID:
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Basic Information
| ChEMBL ID | CHEMBL224392 |
| Name | THIOFLAVIN T |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JADVWWSKYZXRGX-UHFFFAOYSA-M |
| Parent Compound | CHEMBL57267 |
| Active Moiety | CHEMBL57267 |
4
Targets
6
Activities
2
Assay Types
0
PK Parameters
17
Publications
0
Known Names
Molecular Properties
283.4
MW (Da)
3.77
ALogP
2
HBA
0
HBD
7.1
PSA (Ų)
0.65
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Kd 3 meas. best 6.25
Ki 3 meas. best 6.1
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | Kd | 6.25 | 5.945 | 560.0 | 2 |
| Cholinesterase CHEMBL1914 | Ki | 6.1 | 6.1 | 800.0 | 1 |
| Amyloid-beta precursor protein CHEMBL2487 | Ki | 6.05 | 6.05 | 890.0 | 2 |
| Alpha-synuclein CHEMBL6152 | Kd | 6.01 | 6.01 | 969.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | Kd | = | 560.0 | nM | 6.25 | Binding affinity to beta amyloid protein 1-40 by fluorescence titration | 17845017 |
| Cholinesterase | Ki | = | 800.0 | nM | 6.1 | Inhibition of human BChE assessed as inhibition constant | 35969197 |
| Amyloid-beta precursor protein | Ki | = | 890.0 | nM | 6.05 | Binding affinity to amyloid beta (1 to 40) (unknown origin) | 23484434 |
| Amyloid-beta precursor protein | Ki | = | 890.0 | nM | 6.05 | Displacement of [N-methyl-11C]6-Me-BTA-1 from pre-aggregated amyloid beta (1 to ... | 28128562 |
| Alpha-synuclein | Kd | = | 969.0 | nM | 6.01 | Binding affinity to recombinant alpha-synuclein preformed fibrils (unknown origi... | 37267712 |
| Unchecked | Kd | = | 2300.0 | nM | 5.64 | Binding affinity to amyloid beta (1 to 40) | 20621493 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 16279784 | 10.1021/jm050635e | Amyloid-beta precursor protein | 2 |
| 17980608 | 10.1016/j.bmc.2007.10.051 | Unchecked | 2 |
| 22078413 | 10.1016/j.bmc.2011.09.065 | Unchecked | 2 |
| 37267712 | 10.1021/acs.jmedchem.3c00274 | Alpha-synuclein | 1 |
| 35969197 | 10.1021/acs.jmedchem.2c00944 | Cholinesterase | 1 |
| 34403727 | 10.1016/j.bmcl.2021.128324 | Amyloid-beta precursor protein | 1 |
| 28128562 | 10.1021/acs.jnatprod.6b00643 | Amyloid-beta precursor protein | 1 |
| 27842893 | 10.1016/j.ejmech.2016.10.064 | Unchecked | 1 |
| 23484434 | 10.1021/jm3017317 | Amyloid-beta precursor protein | 1 |
| 22578456 | 10.1016/j.bmcl.2012.04.068 | Unchecked | 1 |
| 22078413 | 10.1016/j.bmc.2011.09.065 | Amyloid-beta precursor protein | 1 |
| 20621493 | 10.1016/j.bmc.2010.06.044 | Unchecked | 1 |
| 20036557 | 10.1016/j.bmc.2009.12.023 | Amyloid-beta precursor protein | 1 |
| 19845387 | 10.1021/jm901039z | Amyloid-beta precursor protein | 1 |
| 17826102 | 10.1016/j.bmc.2007.07.052 | Unchecked | 1 |
| 17644339 | 10.1016/j.bmc.2007.06.055 | Unchecked | 1 |
| 17845017 | 10.1021/jm070085f | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine