Compound Detail
CHEMBL2316726
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Basic Information
| ChEMBL ID | CHEMBL2316726 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JMPJNNOSVCHYOU-UHFFFAOYSA-N |
2
Targets
2
Activities
2
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
433.3
MW (Da)
3.62
ALogP
5
HBA
0
HBD
59.1
PSA (Ų)
0.69
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 4.36
IC50 1 meas. best 4.36
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| DNA repair protein RAD51 homolog 1 CHEMBL2034807 | IC50 | 4.36 | 4.36 | 44170.0 | 1 |
| Cell cycle checkpoint protein RAD1 CHEMBL3309116 | EC50 | 4.36 | 4.36 | 44000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Cell cycle checkpoint protein RAD1 | EC50 | = | 44000.0 | nM | 4.36 | Inhibition of RAD1 (unknown origin) binding to ssDNA | 24856061 |
| DNA repair protein RAD51 homolog 1 | IC50 | = | 44170.0 | nM | 4.36 | Inhibition of human RAD51 binding to single stranded DNA by fluorescence polariz... | 23231413 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 23231413 | 10.1021/jm301565b | DNA repair protein RAD51 homolog 1 | 7 |
| 23231413 | 10.1021/jm301565b | HEK293 | 2 |
| 23231413 | 10.1021/jm301565b | No relevant target | 1 |
| 24856061 | 10.1016/j.bmcl.2014.04.088 | Cell cycle checkpoint protein RAD1 | 1 |
Data from ChEMBL 36 via Core Engine