Compound Detail
CHEMBL2347906
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Basic Information
| ChEMBL ID | CHEMBL2347906 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | GXXJUGPFJHOGND-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
287.4
MW (Da)
1.65
ALogP
4
HBA
2
HBD
87.9
PSA (Ų)
0.89
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 6.28
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Poly [ADP-ribose] polymerase 1 CHEMBL3105 | IC50 | 6.28 | 6.28 | 528.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Poly [ADP-ribose] polymerase 1 | IC50 | = | 528.0 | nM | 6.28 | Inhibition of PARP1 (unknown origin) | 23481647 |
| Poly [ADP-ribose] polymerase 1 | IC50 | = | 530.0 | nM | 6.28 | Inhibition of PARP1 (unknown origin) | 36989813 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 23481647 | 10.1016/j.bmcl.2013.02.032 | Poly [ADP-ribose] polymerase 1 | 2 |
| 36989813 | 10.1016/j.ejmech.2023.115300 | Poly [ADP-ribose] polymerase 1 | 1 |
Data from ChEMBL 36 via Core Engine