Compound Detail
CHEMBL453989
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Basic Information
| ChEMBL ID | CHEMBL453989 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ACADFMJVXMCIFY-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
200.2
MW (Da)
1.90
ALogP
2
HBA
1
HBD
56.0
PSA (Ų)
0.80
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.43
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Poly [ADP-ribose] polymerase 1 CHEMBL3105 | IC50 | 5.43 | 5.43 | 3700.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Poly [ADP-ribose] polymerase 1 | IC50 | = | 3700.0 | nM | 5.43 | Inhibition of human recombinant PARP1 by Trevigen colorimetric assay | 19117416 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 19117416 | 10.1021/jm8013629 | Poly [ADP-ribose] polymerase 1 | 1 |
Data from ChEMBL 36 via Core Engine