Compound Detail
CHEMBL48391
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 | CHEMBL48391 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KLNFQJDLPUPRJZ-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
240.2
MW (Da)
3.00
ALogP
4
HBA
1
HBD
76.3
PSA (Ų)
0.40
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 6.81
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Poly [ADP-ribose] polymerase 1 CHEMBL3105 | IC50 | 6.81 | 6.635 | 156.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Poly [ADP-ribose] polymerase 1 | IC50 | = | 156.0 | nM | 6.81 | Inhibitory concentration against purified recombinant human Poly (ADP-ribose) po... | 11425538 |
| Poly [ADP-ribose] polymerase 1 | IC50 | = | 350.0 | nM | 6.46 | The compound was tested for poly(ADP-ribose)-polymerase (PARP) inhibition | 11689065 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 11689065 | 10.1021/jm010116l | Poly [ADP-ribose] polymerase 1 | 1 |
| 11425538 | 10.1016/s0960-894x(01)00281-5 | Poly [ADP-ribose] polymerase 1 | 1 |
Data from ChEMBL 36 via Core Engine