Compound Detail
CHEMBL3793425
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Basic Information
| ChEMBL ID | CHEMBL3793425 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MBRXHHZXVICGKJ-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
281.3
MW (Da)
1.86
ALogP
3
HBA
2
HBD
83.5
PSA (Ų)
0.82
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 4.68
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Tyrosyl-DNA phosphodiesterase 2 CHEMBL2169736 | IC50 | 4.68 | 4.53 | 21000.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Tyrosyl-DNA phosphodiesterase 2 | IC50 | = | 21000.0 | nM | 4.68 | Inhibition of recombinant human TDP2 using 18-mer single stranded oligonucleotid... | 26910725 |
| Tyrosyl-DNA phosphodiesterase 2 | IC50 | = | 42000.0 | nM | 4.38 | Inhibition of human TDP2 expressed in DT40 cells (TDP2-knockout) using 18-mer si... | 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