Compound Detail
CHEMBL4076514
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Basic Information
| ChEMBL ID | CHEMBL4076514 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QLYHALYPJKFJQW-UHFFFAOYSA-N |
2
Targets
2
Activities
2
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
432.4
MW (Da)
4.39
ALogP
6
HBA
2
HBD
90.3
PSA (Ų)
0.62
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 6.98
IC50 1 meas. best 9.49
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| m7GpppX diphosphatase CHEMBL1949488 | IC50 | 9.49 | 9.49 | 0.3 | 1 |
| m7GpppX diphosphatase CHEMBL4105708 | EC50 | 6.98 | 6.98 | 104.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| m7GpppX diphosphatase | IC50 | = | 0.32 | nM | 9.49 | Inhibition of human DcpS assessed as increase in SMN2 promoter activity | 28257199 |
| m7GpppX diphosphatase | EC50 | = | 104.0 | nM | 6.98 | Inhibition of DcpS in human SMN2 promoter driven mouse NSC-34 cells assessed as ... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 28257199 | 10.1021/acs.jmedchem.7b00124 | m7GpppX diphosphatase | 1 |
Data from ChEMBL 36 via Core Engine