Compound Detail
CHEMBL175336
Alizarin Red S Enter ChEMBL ID:
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Basic Information
| ChEMBL ID | CHEMBL175336 |
| Name | Alizarin Red S |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HFVAFDPGUJEFBQ-UHFFFAOYSA-M |
| Parent Compound | CHEMBL1206015 |
| Active Moiety | CHEMBL1206015 |
6
Targets
7
Activities
1
Assay Types
0
PK Parameters
8
Publications
0
Known Names
Molecular Properties
320.3
MW (Da)
1.12
ALogP
6
HBA
3
HBD
129.0
PSA (Ų)
0.45
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 7 meas. best 6.7
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Pyruvate kinase PKLR CHEMBL1075126 | IC50 | 6.7 | 6.7 | 200.0 | 1 |
| Phosphoglycerate mutase 1 CHEMBL3334418 | IC50 | 5.64 | 5.64 | 2300.0 | 1 |
| Tyrosine-protein phosphatase non-receptor type 1 CHEMBL335 | IC50 | 4.4 | 4.4 | 40000.0 | 1 |
| Tyrosine-protein phosphatase 1 CHEMBL4452 | IC50 | 4.32 | 4.32 | 48000.0 | 1 |
| DNA gyrase CHEMBL2094139 | IC50 | 4.25 | 4.25 | 55590.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 4.25 | 4.17 | 55590.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Pyruvate kinase PKLR | IC50 | = | 200.0 | nM | 6.7 | Inhibition of PKL (unknown origin) for 30 mins by Kinase-Glo Max reagent based l... | 35290845 |
| Phosphoglycerate mutase 1 | IC50 | = | 2300.0 | nM | 5.64 | Inhibition of PGAM1 (unknown origin) | 33513389 |
| Tyrosine-protein phosphatase non-receptor type 1 | IC50 | = | 40000.0 | nM | 4.4 | Inhibition of human PTPase 1B | 15050628 |
| Tyrosine-protein phosphatase 1 | IC50 | = | 48000.0 | nM | 4.32 | Inhibitory activity against Saccharomyces cerevisiae Tyrosine phosphatase 1 | 15050628 |
| DNA gyrase | IC50 | = | 55590.0 | nM | 4.25 | Inhibition of Escherichia coli DNA gyrase ATPase activity incubated for 80 mins | 38171145 |
| Unchecked | IC50 | = | 55590.0 | nM | 4.25 | Inhibition of Plasmodium falciparum Gyrase B | 38171145 |
| Unchecked | IC50 | = | 82000.0 | nM | 4.09 | Inhibition of human Leukocyte Antigen Related(LAR) protein tyrosine phosphatase ... | 15050628 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 35290845 | 10.1016/j.ejmech.2022.114270 | Pyruvate kinase PKLR | 3 |
| 15050628 | 10.1016/j.bmcl.2004.01.079 | Unchecked | 1 |
| 15050628 | 10.1016/j.bmcl.2004.01.079 | Tyrosine-protein phosphatase non-receptor type 1 | 1 |
| 15050628 | 10.1016/j.bmcl.2004.01.079 | Tyrosine-protein phosphatase 1 | 1 |
| 23163769 | 10.1021/jf303584r | Erwinia amylovora | 1 |
| 33513389 | 10.1016/j.bmcl.2021.127820 | Phosphoglycerate mutase 1 | 1 |
| 38171145 | 10.1016/j.ejmech.2023.116056 | DNA gyrase | 1 |
| 38171145 | 10.1016/j.ejmech.2023.116056 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine