Compound Detail
CHEMBL426392
BISNORSTRIATOL Enter ChEMBL ID:
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Basic Information
| ChEMBL ID | CHEMBL426392 |
| Name | BISNORSTRIATOL |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QUXULJDSRDXUCR-UHFFFAOYSA-N |
4
Targets
4
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
414.6
MW (Da)
6.98
ALogP
4
HBA
4
HBD
80.9
PSA (Ų)
0.24
QED
1
Ro5 Violations
15
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 5.24
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| DNA polymerase beta CHEMBL4343 | IC50 | 5.24 | 5.24 | 5800.0 | 1 |
| MCF7 CHEMBL387 | IC50 | 4.54 | 4.54 | 29200.0 | 1 |
| NCI-H460 CHEMBL396 | IC50 | 4.54 | 4.54 | 28800.0 | 1 |
| SF-268 CHEMBL613977 | IC50 | 4.53 | 4.53 | 29800.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| DNA polymerase beta | IC50 | = | 5800.0 | nM | 5.24 | Inhibition of rat DNA polymerase beta assessed as [3H]TTP incorporation after 60... | 10096862 |
| MCF7 | IC50 | = | 29200.0 | nM | 4.54 | Cytotoxicity against human MCF7 cells | 17243726 |
| NCI-H460 | IC50 | = | 28800.0 | nM | 4.54 | Cytotoxicity against human NCI-H460 cells | 17243726 |
| SF-268 | IC50 | = | 29800.0 | nM | 4.53 | Cytotoxicity against human SF268 cells | 17243726 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 10096862 | 10.1021/np980522g | DNA polymerase beta | 3 |
| 17243726 | 10.1021/np0605687 | MCF7 | 1 |
| 17243726 | 10.1021/np0605687 | NCI-H460 | 1 |
| 17243726 | 10.1021/np0605687 | SF-268 | 1 |
Data from ChEMBL 36 via Core Engine