Compound Detail
CHEMBL4634919
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Basic Information
| ChEMBL ID | CHEMBL4634919 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XSSGDRWJVHTQAM-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
434.5
MW (Da)
3.81
ALogP
5
HBA
1
HBD
95.7
PSA (Ų)
0.62
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 9.72
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Poly [ADP-ribose] polymerase tankyrase-2 CHEMBL6154 | IC50 | 9.72 | 9.72 | 0.2 | 1 |
| Poly [ADP-ribose] polymerase tankyrase-1 CHEMBL6164 | IC50 | 9.57 | 9.57 | 0.3 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Poly [ADP-ribose] polymerase tankyrase-2 | IC50 | = | 0.19 | nM | 9.72 | Inhibition of human GST-tagged tankyrase 2 autophosphorylation | 32944134 |
| Poly [ADP-ribose] polymerase tankyrase-1 | IC50 | = | 0.27 | nM | 9.57 | Inhibition of human GST-tagged tankyrase 1 autophosphorylation by ELISA | 32944134 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 32944134 | 10.1021/acsmedchemlett.0c00390 | Poly [ADP-ribose] polymerase tankyrase-1 | 1 |
| 32944134 | 10.1021/acsmedchemlett.0c00390 | Poly [ADP-ribose] polymerase tankyrase-2 | 1 |
Data from ChEMBL 36 via Core Engine