Compound Detail
CHEMBL134197
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Basic Information
| ChEMBL ID | CHEMBL134197 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | CORDOWZJZKLEHO-UHFFFAOYSA-N |
1
Targets
2
Activities
2
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
252.3
MW (Da)
1.91
ALogP
3
HBA
3
HBD
97.8
PSA (Ų)
0.61
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 7.52
Ki 1 meas. best 7.96
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Poly [ADP-ribose] polymerase 1 CHEMBL3105 | Ki | 7.96 | 7.96 | 11.0 | 1 |
| Poly [ADP-ribose] polymerase 1 CHEMBL3105 | IC50 | 7.52 | 7.52 | 30.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Poly [ADP-ribose] polymerase 1 | Ki | = | 11.0 | nM | 7.96 | In vitro inhibition against human full length PARP protein | 11063605 |
| Poly [ADP-ribose] polymerase 1 | IC50 | = | 30.0 | nM | 7.52 | Inhibition of PARP1 (unknown origin) assessed as reduction in biotinylated poly(... | 28763648 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 11063605 | 10.1021/jm000950v | Poly [ADP-ribose] polymerase 1 | 1 |
| 28763648 | 10.1016/j.ejmech.2017.07.050 | MCF7 | 1 |
| 28763648 | 10.1016/j.ejmech.2017.07.050 | Poly [ADP-ribose] polymerase 1 | 1 |
Data from ChEMBL 36 via Core Engine