Compound Detail
CHEMBL3793011
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Basic Information
| ChEMBL ID | CHEMBL3793011 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZFQQOWNUFXYQAL-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
229.2
MW (Da)
1.52
ALogP
2
HBA
1
HBD
46.2
PSA (Ų)
0.69
QED
0
Ro5 Violations
0
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 5.46
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Tyrosyl-DNA phosphodiesterase 2 CHEMBL2169736 | IC50 | 5.46 | 5.31 | 3500.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Tyrosyl-DNA phosphodiesterase 2 | IC50 | = | 3500.0 | nM | 5.46 | Inhibition of human TDP2 expressed in DT40 cells (TDP2-knockout) using 18-mer si... | 26910725 |
| Tyrosyl-DNA phosphodiesterase 2 | IC50 | = | 7000.0 | nM | 5.16 | Inhibition of recombinant human TDP2 using 18-mer single stranded oligonucleotid... | 26910725 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 26910725 | 10.1021/acs.jmedchem.5b01973 | Tyrosyl-DNA phosphodiesterase 2 | 2 |
| 26910725 | 10.1021/acs.jmedchem.5b01973 | Tyrosyl-DNA phosphodiesterase 1 | 1 |
Data from ChEMBL 36 via Core Engine