Compound Detail
CHEMBL3593571
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Basic Information
| ChEMBL ID | CHEMBL3593571 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WGLRJONCGNNMKL-VOTSOKGWSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
388.4
MW (Da)
2.72
ALogP
8
HBA
0
HBD
101.3
PSA (Ų)
0.53
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 4.9
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| DNA polymerase kappa CHEMBL5365 | IC50 | 4.9 | 4.9 | 12500.0 | 1 |
| DNA polymerase iota CHEMBL5159 | IC50 | 4.47 | 4.47 | 34000.0 | 1 |
| DNA polymerase eta CHEMBL5542 | IC50 | 4.3 | 4.3 | 50000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| DNA polymerase kappa | IC50 | = | 12500.0 | nM | 4.9 | Inhibition of C-terminal His6-tagged human DNA polymerase kappa (1 to 560 residu... | 27362876 |
| DNA polymerase iota | IC50 | = | 34000.0 | nM | 4.47 | Inhibition of C-terminal His6-tagged recombinant mouse DNA polymerase iota using... | 27362876 |
| DNA polymerase eta | IC50 | = | 50000.0 | nM | 4.3 | Inhibition of C-terminal His6-tagged human DNA polymerase eta (1 to 511 residues... | 27362876 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 26230970 | 10.1021/np500885f | Lysosomal alpha-glucosidase | 1 |
| 27362876 | 10.1021/acs.jmedchem.6b00596 | DNA polymerase kappa | 1 |
| 27362876 | 10.1021/acs.jmedchem.6b00596 | DNA polymerase iota | 1 |
| 27362876 | 10.1021/acs.jmedchem.6b00596 | DNA polymerase eta | 1 |
Data from ChEMBL 36 via Core Engine