Compound Detail
CHEMBL3593719
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Basic Information
| ChEMBL ID | CHEMBL3593719 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | UPIFXTWRBWBJMT-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
366.4
MW (Da)
2.33
ALogP
5
HBA
2
HBD
83.6
PSA (Ų)
0.87
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 5.18
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Poly [ADP-ribose] polymerase tankyrase-2 CHEMBL6154 | IC50 | 5.18 | 5.09 | 6600.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Poly [ADP-ribose] polymerase tankyrase-2 | IC50 | = | 6600.0 | nM | 5.18 | Inhibition of human TNKS2 (956 to 1161 and 873 to 1161) using 500 nM NAD substra... | 26183543 |
| Poly [ADP-ribose] polymerase tankyrase-2 | IC50 | = | 10000.0 | nM | 5.0 | Inhibition of human TNKS2 (956 to 1161 and 873 to 1161) using 500 nM NAD substra... | 26183543 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 26183543 | 10.1016/j.bmc.2015.06.063 | Poly [ADP-ribose] polymerase tankyrase-2 | 2 |
Data from ChEMBL 36 via Core Engine