Compound Detail
CHEMBL518484
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Basic Information
| ChEMBL ID | CHEMBL518484 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LWYGAYYSBCIGHJ-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
384.5
MW (Da)
2.23
ALogP
4
HBA
2
HBD
109.2
PSA (Ų)
0.72
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 7.62
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Poly [ADP-ribose] polymerase 2 CHEMBL5366 | Ki | 7.62 | 7.62 | 24.0 | 1 |
| Poly [ADP-ribose] polymerase 1 CHEMBL3105 | Ki | 7.57 | 7.57 | 27.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Poly [ADP-ribose] polymerase 2 | Ki | = | 24.0 | nM | 7.62 | Inhibition of PARP2 | 18541433 |
| Poly [ADP-ribose] polymerase 1 | Ki | = | 27.0 | nM | 7.57 | Inhibition of PARP1 | 18541433 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 18541433 | 10.1016/j.bmc.2008.05.044 | Poly [ADP-ribose] polymerase 1 | 2 |
| 18541433 | 10.1016/j.bmc.2008.05.044 | Poly [ADP-ribose] polymerase 2 | 1 |
Data from ChEMBL 36 via Core Engine