Compound Detail
CHEMBL595680
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Basic Information
| ChEMBL ID | CHEMBL595680 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HRFMEINHGNOYPO-UHFFFAOYSA-N |
1
Targets
2
Activities
2
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
315.4
MW (Da)
0.72
ALogP
3
HBA
1
HBD
69.7
PSA (Ų)
0.89
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 5.55
IC50 1 meas. best 8.05
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Poly [ADP-ribose] polymerase 1 CHEMBL3105 | IC50 | 8.05 | 8.05 | 9.0 | 1 |
| Poly [ADP-ribose] polymerase 1 CHEMBL3105 | EC50 | 5.55 | 5.55 | 2800.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Poly [ADP-ribose] polymerase 1 | IC50 | = | 9.0 | nM | 8.05 | Inhibition of human PARP1 by scintillation proximity assay | 20015648 |
| Poly [ADP-ribose] polymerase 1 | EC50 | = | 2800.0 | nM | 5.55 | Inhibition of PARP1 in human HeLa cells assessed as inhibition of hydrogen perox... | 20015648 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 20015648 | 10.1016/j.bmcl.2009.12.002 | Poly [ADP-ribose] polymerase 1 | 2 |
Data from ChEMBL 36 via Core Engine