Compound Detail
CHEMBL469960
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
Basic Information
| ChEMBL ID | CHEMBL469960 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZKFWXZUJCFLPSP-UHFFFAOYSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
298.4
MW (Da)
2.60
ALogP
3
HBA
3
HBD
83.8
PSA (Ų)
0.80
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 8.8
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| NON-PROTEIN TARGET CHEMBL3879801 | IC50 | 8.8 | 8.8 | 1.6 | 1 |
| Poly [ADP-ribose] polymerase 1 CHEMBL4664 | IC50 | 7.85 | 7.85 | 14.0 | 1 |
| WRL68 CHEMBL612587 | IC50 | 7.01 | 7.01 | 98.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| NON-PROTEIN TARGET | IC50 | = | 1.6 | nM | 8.8 | Antioxidant activity assessed as hydroxyl radical scavenging activity by fenton ... | 19245212 |
| Poly [ADP-ribose] polymerase 1 | IC50 | = | 14.0 | nM | 7.85 | Inhibition of rat liver PARP1 by scintillation counting | 19245212 |
| WRL68 | IC50 | = | 98.0 | nM | 7.01 | Inhibition of H2O2-induced cell death in human WRL68 cells after 3 hrs by MTT as... | 19245212 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 19245212 | 10.1021/jm801476y | Poly [ADP-ribose] polymerase 1 | 1 |
| 19245212 | 10.1021/jm801476y | WRL68 | 1 |
| 19245212 | 10.1021/jm801476y | NON-PROTEIN TARGET | 1 |
| 19245212 | 10.1021/jm801476y | Mus musculus | 1 |
Data from ChEMBL 36 via Core Engine