Compound Detail
CHEMBL1403899
THIOCTIC ACID AMIDE Enter ChEMBL ID:
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Basic Information
| ChEMBL ID | CHEMBL1403899 |
| Name | THIOCTIC ACID AMIDE |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | FCCDDURTIIUXBY-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
6
Publications
14
Known Names
Molecular Properties
205.3
MW (Da)
2.19
ALogP
3
HBA
1
HBD
43.1
PSA (Ų)
0.55
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Chirality | Racemic |
Activity Summary
IC50 1 meas. best 4.7
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| TAR DNA-binding protein 43 CHEMBL2362981 | IC50 | 4.7 | 4.7 | 19952.6 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| TAR DNA-binding protein 43 | IC50 | = | 19952.62 | nM | 4.7 | Inhibition of TDP-43 (unknown origin) binding to RNA | 31926785 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.6019/CHEMBL4495565 | SARS-CoV-2 | 2 |
| - | 10.6019/CHEMBL4651402 | SARS-CoV-2 | 2 |
| - | 10.6019/CHEMBL4808148 | Histone deacetylase 6 | 2 |
| - | 10.21203/rs.3.rs-23951/v1 | SARS-CoV-2 | 1 |
| - | 10.6019/CHEMBL4495564 | Replicase polyprotein 1ab | 1 |
| 31926785 | 10.1016/j.bmcl.2019.126942 | TAR DNA-binding protein 43 | 1 |
Data from ChEMBL 36 via Core Engine