Compound Detail
CHEMBL2426161
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Basic Information
| ChEMBL ID | CHEMBL2426161 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | GXGPLRZPNMHQTD-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
455.1
MW (Da)
4.77
ALogP
5
HBA
2
HBD
79.8
PSA (Ų)
0.60
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 5.68
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| RecQ-like DNA helicase BLM CHEMBL1293237 | IC50 | 5.68 | 5.68 | 2100.0 | 1 |
| Bifunctional 3'-5' exonuclease/ATP-dependent helicase WRN CHEMBL2146312 | IC50 | 5.54 | 5.54 | 2900.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| RecQ-like DNA helicase BLM | IC50 | = | 2100.0 | nM | 5.68 | Inhibition of BLM (unknown origin) by gel-based DNA unwinding assay | 24012121 |
| Bifunctional 3'-5' exonuclease/ATP-dependent helicase WRN | IC50 | = | 2900.0 | nM | 5.54 | Inhibition of WRN (unknown origin) by gel-based DNA unwinding assay | 24012121 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 24012121 | 10.1016/j.bmcl.2013.08.025 | RecQ-like DNA helicase BLM | 1 |
| 24012121 | 10.1016/j.bmcl.2013.08.025 | Bifunctional 3'-5' exonuclease/ATP-dependent helicase WRN | 1 |
| 24012121 | 10.1016/j.bmcl.2013.08.025 | ATP-dependent DNA helicase Q1 | 1 |
| 24012121 | 10.1016/j.bmcl.2013.08.025 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine