Compound Detail
CHEMBL2426191
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Basic Information
| ChEMBL ID | CHEMBL2426191 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NKCLXTKCLZTUID-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
345.8
MW (Da)
4.21
ALogP
5
HBA
2
HBD
79.8
PSA (Ų)
0.74
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.1
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| RecQ-like DNA helicase BLM CHEMBL1293237 | IC50 | 5.1 | 5.1 | 7900.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| RecQ-like DNA helicase BLM | IC50 | = | 7900.0 | nM | 5.1 | Inhibition of BLM (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 |
Data from ChEMBL 36 via Core Engine