Compound Detail
CHEMBL3219282
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Basic Information
| ChEMBL ID | CHEMBL3219282 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QNKJJOVHIJOTSJ-UHFFFAOYSA-N |
| Parent Compound | CHEMBL3302605 |
| Active Moiety | CHEMBL3302605 |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
258.4
MW (Da)
2.80
ALogP
3
HBA
1
HBD
36.1
PSA (Ų)
0.77
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 6.75
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Poly [ADP-ribose] polymerase 1 CHEMBL3105 | IC50 | 6.75 | 6.75 | 180.0 | 1 |
| Poly [ADP-ribose] polymerase 2 CHEMBL2794 | IC50 | 6.52 | 6.52 | 300.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Poly [ADP-ribose] polymerase 1 | IC50 | = | 180.0 | nM | 6.75 | Inhibition of human recombinant PARP1 by fluorescence based multiwell assay | - |
| Poly [ADP-ribose] polymerase 2 | IC50 | = | 300.0 | nM | 6.52 | Inhibition of mouse recombinant PARP2 assessed as radioactivity incorporated fro... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.1039/C1MD00021G | Poly [ADP-ribose] polymerase 1 | 1 |
| - | 10.1039/C1MD00021G | Poly [ADP-ribose] polymerase 2 | 1 |
| - | 10.1039/C1MD00021G | Poly [ADP-ribose] polymerase tankyrase-1 | 1 |
Data from ChEMBL 36 via Core Engine