Compound Detail
CHEMBL3189128
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Basic Information
| ChEMBL ID | CHEMBL3189128 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WNIKCXFVAWEQAC-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
324.4
MW (Da)
3.18
ALogP
6
HBA
3
HBD
79.3
PSA (Ų)
0.58
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 5.54
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| DNA repair protein RAD52 homolog CHEMBL2362978 | IC50 | 5.54 | 5.43 | 2900.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| DNA repair protein RAD52 homolog | IC50 | = | 2900.0 | nM | 5.54 | Inhibition of RAD52 (unknown origin) assessed as effect on ssDNA annealing using... | - |
| DNA repair protein RAD52 homolog | IC50 | = | 4800.0 | nM | 5.32 | Inhibition of RAD52 (unknown origin) assessed as inhibition of DNA pairing using... | - |
Data from ChEMBL 36 via Core Engine