Compound Detail
CHEMBL1374426
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
Basic Information
| ChEMBL ID | CHEMBL1374426 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YXEWPGYLMHXLPS-UHFFFAOYSA-N |
3
Targets
6
Activities
1
Assay Types
0
PK Parameters
11
Publications
0
Known Names
Molecular Properties
183.2
MW (Da)
-0.18
ALogP
4
HBA
0
HBD
63.7
PSA (Ų)
0.45
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 6 meas. best 6.54
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Replicase polyprotein 1ab CHEMBL4523582 | IC50 | 6.54 | 6.54 | 290.0 | 1 |
| RecQ-like DNA helicase BLM CHEMBL1293237 | IC50 | 5.8 | 5.8 | 1600.0 | 1 |
| Bifunctional 3'-5' exonuclease/ATP-dependent helicase WRN CHEMBL2146312 | IC50 | 5.52 | 4.975 | 3000.0 | 4 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Replicase polyprotein 1ab | IC50 | = | 290.0 | nM | 6.54 | SARS-CoV-2 3CL-Pro protease inhibition IC50 determined by FRET kind of response ... | - |
| RecQ-like DNA helicase BLM | IC50 | = | 1600.0 | nM | 5.8 | Inhibition of BLM (unknown origin) ATPase activity | 38521175 |
| Bifunctional 3'-5' exonuclease/ATP-dependent helicase WRN | IC50 | = | 3000.0 | nM | 5.52 | Inhibition of recombinant WRN (unknown origin) helicase activity expressed in ba... | 28072526 |
| Bifunctional 3'-5' exonuclease/ATP-dependent helicase WRN | IC50 | = | 10400.0 | nM | 4.98 | Inhibition of WRN (unknown origin) ATPase activity | 38521175 |
| Bifunctional 3'-5' exonuclease/ATP-dependent helicase WRN | IC50 | = | 20000.0 | nM | 4.7 | Inhibition of WRN helicase (unknown origin) | 24856061 |
| Bifunctional 3'-5' exonuclease/ATP-dependent helicase WRN | IC50 | = | 20000.0 | nM | 4.7 | Inhibition of WRN (unknown origin) | 38521175 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.6019/CHEMBL4495564 | Replicase polyprotein 1ab | 4 |
| - | 10.6019/CHEMBL4495565 | SARS-CoV-2 | 2 |
| - | 10.6019/CHEMBL4808148 | Histone deacetylase 6 | 2 |
| 38521175 | 10.1016/j.bmcl.2024.129711 | Bifunctional 3'-5' exonuclease/ATP-dependent helicase WRN | 2 |
| 38521175 | 10.1016/j.bmcl.2024.129711 | Unchecked | 2 |
| 38521175 | 10.1016/j.bmcl.2024.129711 | Eukaryotic initiation factor 4A-I | 2 |
| 24856061 | 10.1016/j.bmcl.2014.04.088 | Bifunctional 3'-5' exonuclease/ATP-dependent helicase WRN | 1 |
| 28072526 | 10.1021/acs.jmedchem.6b00966 | Bifunctional 3'-5' exonuclease/ATP-dependent helicase WRN | 1 |
| - | 10.21203/rs.3.rs-23951/v1 | SARS-CoV-2 | 1 |
| 38295487 | 10.1016/j.bmc.2024.117588 | Bifunctional 3'-5' exonuclease/ATP-dependent helicase WRN | 1 |
| 38521175 | 10.1016/j.bmcl.2024.129711 | RecQ-like DNA helicase BLM | 1 |
Data from ChEMBL 36 via Core Engine