Compound Detail
CHEMBL119888
THIOSALICYLIC ACID Enter ChEMBL ID:
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Basic Information
| ChEMBL ID | CHEMBL119888 |
| Name | THIOSALICYLIC ACID |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NBOMNTLFRHMDEZ-UHFFFAOYSA-N |
2
Targets
3
Activities
3
Assay Types
0
PK Parameters
14
Publications
0
Known Names
Molecular Properties
154.2
MW (Da)
1.67
ALogP
2
HBA
2
HBD
37.3
PSA (Ų)
0.60
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 4.77
IC50 1 meas.
Ki 1 meas. best 5.04
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | Ki | 5.04 | 5.04 | 9200.0 | 1 |
| Histone deacetylase 8 CHEMBL3192 | EC50 | 4.77 | 4.77 | 16900.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | Ki | = | 9200.0 | nM | 5.04 | Inhibition of Bacillus cereus metallo-beta-lactamase BcII | 24583353 |
| Histone deacetylase 8 | EC50 | = | 16900.0 | nM | 4.77 | Substrate-dependent activation of HDAC8 (unknown origin) using FLUOR DE LYS as s... | 32690262 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.1007/s00044-010-9300-y | Mus musculus | 7 |
| 27437077 | 10.1021/acsmedchemlett.6b00084 | Unchecked | 2 |
| - | 10.6019/CHEMBL4495565 | SARS-CoV-2 | 2 |
| - | 10.6019/CHEMBL4651402 | SARS-CoV-2 | 2 |
| 32690262 | 10.1016/j.bmc.2020.115607 | Histone deacetylase 8 | 2 |
| - | 10.6019/CHEMBL4808148 | Histone deacetylase 6 | 2 |
| 3950915 | 10.1021/jm00153a009 | Thiopurine S-methyltransferase | 1 |
| 24583353 | 10.1016/j.ejmech.2014.02.008 | Unchecked | 1 |
| 22961681 | 10.1124/dmd.112.047068 | Bile salt export pump | 1 |
| 28341401 | 10.1016/j.bmc.2017.03.024 | HEK293 | 1 |
| 28341401 | 10.1016/j.bmc.2017.03.024 | Pendrin | 1 |
| - | 10.21203/rs.3.rs-23951/v1 | SARS-CoV-2 | 1 |
| 27437077 | 10.1021/acsmedchemlett.6b00084 | Endoplasmic reticulum aminopeptidase 1 | 1 |
| - | 10.6019/CHEMBL4495564 | Replicase polyprotein 1ab | 1 |
Data from ChEMBL 36 via Core Engine