Compound Detail
CHEMBL194482
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Basic Information
| ChEMBL ID | CHEMBL194482 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ANKUJWLWOYNWFQ-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
394.5
MW (Da)
5.40
ALogP
2
HBA
1
HBD
36.1
PSA (Ų)
0.46
QED
1
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 7.34
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Poly [ADP-ribose] polymerase 1 CHEMBL3105 | IC50 | 7.34 | 7.13 | 46.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Poly [ADP-ribose] polymerase 1 | IC50 | = | 46.0 | nM | 7.34 | In vitro inhibitory concentration against Poly(ADP-ribose) polymerase 1 | 16098744 |
| Poly [ADP-ribose] polymerase 1 | IC50 | = | 119.0 | nM | 6.92 | Inhibition of human recombinant PARP1 | 19125579 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 16098744 | 10.1016/j.bmcl.2005.06.094 | Poly [ADP-ribose] polymerase 1 | 1 |
| 19125579 | 10.1021/jm800902t | Poly [ADP-ribose] polymerase 1 | 1 |
Data from ChEMBL 36 via Core Engine