Compound Detail
CHEMBL496723
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Basic Information
| ChEMBL ID | CHEMBL496723 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | AXRLHHFRSCCWLI-UHFFFAOYSA-N |
2
Targets
4
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
300.8
MW (Da)
3.57
ALogP
2
HBA
3
HBD
65.1
PSA (Ų)
0.69
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 5.8
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Glycogen phosphorylase, liver form CHEMBL2568 | IC50 | 5.8 | 5.8 | 1600.0 | 2 |
| Na(+)/H(+) exchange regulatory cofactor NHE-RF1 CHEMBL4523125 | IC50 | 4.62 | 4.415 | 24000.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Glycogen phosphorylase, liver form | IC50 | = | 1600.0 | nM | 5.8 | Inhibition of human liver glycogen phosphorylase a | 18434170 |
| Glycogen phosphorylase, liver form | IC50 | = | 1600.0 | nM | 5.8 | Inhibition of active form of human liver glycogen phosphorylase | 18952447 |
| Na(+)/H(+) exchange regulatory cofactor NHE-RF1 | IC50 | = | 24000.0 | nM | 4.62 | Inhibition of NHERF1 in human Ls174T cells stably transfected with Dox-inducible... | 30996786 |
| Na(+)/H(+) exchange regulatory cofactor NHE-RF1 | IC50 | = | 62000.0 | nM | 4.21 | Inhibition of NHERF1 in human Ls174T cells stably transfected with Dox-inducible... | 30996786 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 30996786 | 10.1021/acsmedchemlett.8b00532 | Na(+)/H(+) exchange regulatory cofactor NHE-RF1 | 2 |
| 18434170 | 10.1016/j.bmc.2008.04.010 | Glycogen phosphorylase, liver form | 1 |
| 18952447 | 10.1016/j.bmc.2008.10.021 | Glycogen phosphorylase, liver form | 1 |
Data from ChEMBL 36 via Core Engine