Compound Detail
CHEMBL506109
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Basic Information
| ChEMBL ID | CHEMBL506109 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BJADFRXBGZEYMI-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
271.4
MW (Da)
2.48
ALogP
4
HBA
1
HBD
50.7
PSA (Ų)
0.74
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 6.83
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Poly [ADP-ribose] polymerase 1 CHEMBL3105 | IC50 | 6.83 | 6.83 | 148.6 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Poly [ADP-ribose] polymerase 1 | IC50 | = | 148.6 | nM | 6.83 | Inhibition of PARP1 in human HeLa cells by fluid scintillation counting using [a... | 18713665 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 18713665 | 10.1016/j.bmcl.2008.07.091 | Poly [ADP-ribose] polymerase 1 | 2 |
| 18713665 | 10.1016/j.bmcl.2008.07.091 | HCT-116 | 1 |
| 18713665 | 10.1016/j.bmcl.2008.07.091 | ADMET | 1 |
Data from ChEMBL 36 via Core Engine