Compound Detail
CHEMBL504212
STRICTININ Enter ChEMBL ID:
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O=C(O[C@@H]1O[C@@H]2COC(=O)c3cc(O)c(O)c(O)c3-c3c(cc(O)c(O)c3O)C(=O)O[C@H]2[C@H](O)[C@H]1O)c1cc(O)c(O)c(O)c1
Basic Information
| ChEMBL ID | CHEMBL504212 |
| Name | STRICTININ |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | FYIJLTSMNXUNLT-CXQFPWCTSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
634.5
MW (Da)
-0.30
ALogP
18
HBA
11
HBD
310.7
PSA (Ų)
0.10
QED
3
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.82
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| DNA repair protein RAD52 homolog CHEMBL2362978 | IC50 | 5.82 | 5.82 | 1500.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| DNA repair protein RAD52 homolog | IC50 | = | 1500.0 | nM | 5.82 | Inhibition of 6His-tagged human RD52 assessed as reduction in RD52 binding to Cy... | 33135887 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 1431932 | 10.1021/np50086a002 | TE-671 | 1 |
| 1431932 | 10.1021/np50086a002 | HCT-8 | 1 |
| 1431932 | 10.1021/np50086a002 | A549 | 1 |
| 1431932 | 10.1021/np50086a002 | KB | 1 |
| 1431932 | 10.1021/np50086a002 | NON-PROTEIN TARGET | 1 |
| 33135887 | 10.1021/acs.jmedchem.0c00766 | DNA repair protein RAD52 homolog | 1 |
Data from ChEMBL 36 via Core Engine