Compound Detail
CHEMBL2170137
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Basic Information
| ChEMBL ID | CHEMBL2170137 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YQEWVSSEEWAWFP-TWGQIWQCSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
279.3
MW (Da)
2.60
ALogP
5
HBA
1
HBD
55.4
PSA (Ų)
0.51
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 5.17
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Tyrosyl-DNA phosphodiesterase 1 CHEMBL1075138 | IC50 | 5.17 | 4.795 | 6700.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Tyrosyl-DNA phosphodiesterase 1 | IC50 | = | 6700.0 | nM | 5.17 | Inhibition of human recombinant Tdp1 assessed as conversion of 14-mer 5'-32P-lab... | 23006064 |
| Tyrosyl-DNA phosphodiesterase 1 | IC50 | = | 38000.0 | nM | 4.42 | Inhibition of human recombinant Tdp1 expressed in Tdp1 knockout chicken DT40 cel... | 23006064 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 23006064 | 10.1021/jm3008773 | Tyrosyl-DNA phosphodiesterase 1 | 2 |
Data from ChEMBL 36 via Core Engine