Compound Detail
CHEMBL82342
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Basic Information
| ChEMBL ID | CHEMBL82342 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | PHKKGRKUGQPYDX-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
196.2
MW (Da)
2.49
ALogP
3
HBA
1
HBD
46.0
PSA (Ų)
0.56
QED
0
Ro5 Violations
0
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 6.89
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Poly [ADP-ribose] polymerase 1 CHEMBL3105 | IC50 | 6.89 | 6.89 | 128.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Poly [ADP-ribose] polymerase 1 | IC50 | = | 128.0 | nM | 6.89 | Inhibitory activity against Poly (ADP-ribose) polymerase 1 | 12825952 |
| Poly [ADP-ribose] polymerase 1 | IC50 | = | 128.0 | nM | 6.89 | Inhibition of human recombinant Poly (ADP-ribose) polymerase 1 | 12852955 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 12825952 | 10.1021/jm030109s | Poly [ADP-ribose] polymerase 1 | 1 |
| 12825952 | 10.1021/jm030109s | Rattus norvegicus | 1 |
| 12852955 | 10.1016/s0960-894x(03)00465-7 | Poly [ADP-ribose] polymerase 1 | 1 |
| 38318365 | 10.1016/j.isci.2024.108907 | Deoxynucleoside triphosphate triphosphohydrolase SAMHD1 | 1 |
Data from ChEMBL 36 via Core Engine