Compound Detail
CHEMBL5408263
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Basic Information
| ChEMBL ID | CHEMBL5408263 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | UOJQIPKLYOLALI-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
252.3
MW (Da)
2.22
ALogP
3
HBA
2
HBD
66.0
PSA (Ų)
0.73
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.68
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Poly [ADP-ribose] polymerase 1 CHEMBL3105 | IC50 | 5.68 | 5.68 | 2100.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Poly [ADP-ribose] polymerase 1 | IC50 | = | 2100.0 | nM | 5.68 | Inhibition of C-terminal His-tagged human recombinant PARP-1 (1 to 1014 residues... | 37484567 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 37484567 | 10.1039/d3md00117b | No relevant target | 1 |
| 37484567 | 10.1039/d3md00117b | Poly [ADP-ribose] polymerase 1 | 1 |
Data from ChEMBL 36 via Core Engine