Compound Detail
CHEMBL371339
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Basic Information
| ChEMBL ID | CHEMBL371339 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | PAWPYIRHUFVTHJ-UHFFFAOYSA-N |
1
Targets
2
Activities
2
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
468.5
MW (Da)
4.41
ALogP
5
HBA
2
HBD
68.7
PSA (Ų)
0.41
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 7.16
IC50 1 meas. best 7.1
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Poly [ADP-ribose] polymerase 1 CHEMBL3105 | EC50 | 7.16 | 7.16 | 70.0 | 1 |
| Poly [ADP-ribose] polymerase 1 CHEMBL3105 | IC50 | 7.1 | 7.1 | 80.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Poly [ADP-ribose] polymerase 1 | EC50 | = | 70.0 | nM | 7.16 | Effective concentration against poly ADP-ribose polymerase-1 determined using th... | 16078828 |
| Poly [ADP-ribose] polymerase 1 | IC50 | = | 80.0 | nM | 7.1 | Inhibitory concentration against purified poly ADP-ribose polymerase-1 done in P... | 16078828 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 16078828 | 10.1021/jm0502891 | Poly [ADP-ribose] polymerase 1 | 2 |
Data from ChEMBL 36 via Core Engine