Compound Detail
CHEMBL606456
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Basic Information
| ChEMBL ID | CHEMBL606456 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KCSOAGQWVXHKBQ-UHFFFAOYSA-N |
2
Targets
3
Activities
2
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
456.7
MW (Da)
4.09
ALogP
5
HBA
2
HBD
46.7
PSA (Ų)
0.41
QED
0
Ro5 Violations
10
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 5.22
EC50 1 meas. best 5.65
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | EC50 | 5.65 | 5.65 | 2243.0 | 1 |
| DNA repair protein RAD52 homolog CHEMBL2362978 | IC50 | 5.22 | 5.135 | 6000.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | EC50 | = | 2243.0 | nM | 5.65 | PUBCHEM_BIOASSAY: Luminescence Cell-Based/Microorganism Dose Confirmation HTS to... | - |
| DNA repair protein RAD52 homolog | IC50 | = | 6000.0 | nM | 5.22 | Inhibition of RAD52 (unknown origin) assessed as effect on ssDNA annealing using... | - |
| DNA repair protein RAD52 homolog | IC50 | = | 8900.0 | nM | 5.05 | Inhibition of RAD52 (unknown origin) assessed as inhibition of DNA pairing using... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 20485428 | 10.1038/nature09099 | Plasmodium falciparum | 2 |
Data from ChEMBL 36 via Core Engine