Compound Detail
CHEMBL4096904
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Basic Information
| ChEMBL ID | CHEMBL4096904 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | GJCPQKMRCUWNTA-UHFFFAOYSA-N |
2
Targets
2
Activities
2
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
383.9
MW (Da)
3.74
ALogP
6
HBA
2
HBD
90.3
PSA (Ų)
0.71
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 6.1
IC50 1 meas. best 6.99
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| m7GpppX diphosphatase CHEMBL1949488 | IC50 | 6.99 | 6.99 | 101.3 | 1 |
| m7GpppX diphosphatase CHEMBL4105708 | EC50 | 6.1 | 6.1 | 795.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| m7GpppX diphosphatase | IC50 | = | 101.34 | nM | 6.99 | Inhibition of recombinant flag-tagged DcpS (unknown origin) decapping activity a... | - |
| m7GpppX diphosphatase | EC50 | = | 795.0 | nM | 6.1 | Inhibition of DcpS in human SMN2 promoter driven mouse NSC-34 cells assessed as ... | - |
Data from ChEMBL 36 via Core Engine