Compound Detail
CHEMBL2426174
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Basic Information
| ChEMBL ID | CHEMBL2426174 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | PNYZVACPJDKKEE-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
1
PK Parameters
8
Publications
0
Known Names
Molecular Properties
388.4
MW (Da)
3.51
ALogP
7
HBA
3
HBD
132.3
PSA (Ų)
0.49
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 5.96
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| RecQ-like DNA helicase BLM CHEMBL1293237 | IC50 | 5.96 | 5.96 | 1100.0 | 1 |
| Bifunctional 3'-5' exonuclease/ATP-dependent helicase WRN CHEMBL2146312 | IC50 | 5.15 | 5.15 | 7100.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| T1/2 | 1.333 | hr | Mus musculus |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| RecQ-like DNA helicase BLM | IC50 | = | 1100.0 | nM | 5.96 | Inhibition of BLM (unknown origin) by gel-based DNA unwinding assay | 24012121 |
| Bifunctional 3'-5' exonuclease/ATP-dependent helicase WRN | IC50 | = | 7100.0 | nM | 5.15 | 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 | 5 |
| 24012121 | 10.1016/j.bmcl.2013.08.025 | Caco-2 | 2 |
| 24012121 | 10.1016/j.bmcl.2013.08.025 | Unchecked | 2 |
| 24012121 | 10.1016/j.bmcl.2013.08.025 | No relevant target | 1 |
| 24012121 | 10.1016/j.bmcl.2013.08.025 | Liver | 1 |
| 24012121 | 10.1016/j.bmcl.2013.08.025 | Plasma | 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 |
Data from ChEMBL 36 via Core Engine