Compound Detail
CHEMBL371668
PHOSPHOGLYCOLOHYDROXAMATE Enter ChEMBL ID:
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Basic Information
| ChEMBL ID | CHEMBL371668 |
| Name | PHOSPHOGLYCOLOHYDROXAMATE |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BAXHHWZKQZIJID-UHFFFAOYSA-N |
5
Targets
10
Activities
1
Assay Types
0
PK Parameters
8
Publications
0
Known Names
Molecular Properties
171.0
MW (Da)
-1.40
ALogP
4
HBA
4
HBD
116.1
PSA (Ų)
0.24
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 10 meas. best 8.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Fructose-bisphosphate aldolase class 2 CHEMBL4912 | Ki | 8.0 | 8.0 | 10.0 | 1 |
| Unchecked CHEMBL612545 | Ki | 8.0 | 6.75 | 10.0 | 4 |
| Fructose-bisphosphate aldolase A CHEMBL4695 | Ki | 6.0 | 6.0 | 1000.0 | 1 |
| Triosephosphate isomerase CHEMBL3930 | Ki | 5.52 | 5.52 | 3000.0 | 1 |
| Triosephosphate isomerase CHEMBL4880 | Ki | 5.52 | 5.46 | 3000.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | Ki | = | 10.0 | nM | 8.0 | Binding affinity against class II fructose-bisphosphate aldolase | 15911278 |
| Fructose-bisphosphate aldolase class 2 | Ki | = | 10.0 | nM | 8.0 | Inhibitory activity against class II FBP aldolase from Escherichia coli | 16236509 |
| Unchecked | Ki | = | 10.0 | nM | 8.0 | Inhibition of class II FBA | 17088060 |
| Fructose-bisphosphate aldolase A | Ki | = | 1000.0 | nM | 6.0 | Inhibitory activity against class I FBP aldolase from rabbit | 16236509 |
| Unchecked | Ki | = | 1000.0 | nM | 6.0 | Inhibition of class I FBA | 17088060 |
| Triosephosphate isomerase | Ki | = | 3000.0 | nM | 5.52 | Binding affinity against rabbit muscle triose-phosphate isomerase | 15911278 |
| Triosephosphate isomerase | Ki | = | 3000.0 | nM | 5.52 | Inhibition of triosephosphate isomerase | 17088060 |
| Triosephosphate isomerase | Ki | = | 4000.0 | nM | 5.4 | Inhibition of Triosephosphate isomerase | 21236668 |
| Unchecked | Ki | = | 10000.0 | nM | 5.0 | In vitro binding affinity towards FBP aldolase from yeast | 15125960 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 15125960 | 10.1016/j.bmcl.2004.03.040 | Unchecked | 3 |
| 17088060 | 10.1016/j.bmcl.2006.10.030 | Unchecked | 3 |
| 15911278 | 10.1016/j.bmcl.2005.03.061 | Unchecked | 1 |
| 15911278 | 10.1016/j.bmcl.2005.03.061 | Triosephosphate isomerase | 1 |
| 16236509 | 10.1016/j.bmcl.2005.09.006 | Fructose-bisphosphate aldolase A | 1 |
| 16236509 | 10.1016/j.bmcl.2005.09.006 | Fructose-bisphosphate aldolase class 2 | 1 |
| 17088060 | 10.1016/j.bmcl.2006.10.030 | Triosephosphate isomerase | 1 |
| 21236668 | 10.1016/j.bmcl.2010.12.066 | Triosephosphate isomerase | 1 |
Data from ChEMBL 36 via Core Engine