Compound Detail
CHEMBL424414
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Basic Information
| ChEMBL ID | CHEMBL424414 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | APLVPBUBDFWWAD-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
8
Publications
0
Known Names
Molecular Properties
159.2
MW (Da)
1.84
ALogP
1
HBA
1
HBD
32.9
PSA (Ų)
0.62
QED
0
Ro5 Violations
0
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 4.92
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Poly [ADP-ribose] polymerase tankyrase-2 CHEMBL6154 | IC50 | 4.92 | 4.92 | 12000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Poly [ADP-ribose] polymerase tankyrase-2 | IC50 | = | 12000.0 | nM | 4.92 | Inhibition of auto-PARsylation of GST-tagged TNKS2 PARP domain (947 to 1162) (un... | 23672613 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 19265439 | 10.1021/jm801335z | NON-PROTEIN TARGET | 2 |
| 23672613 | 10.1021/jm400211f | Poly [ADP-ribose] polymerase tankyrase-2 | 2 |
| 3093680 | 10.1021/jm00160a038 | Aldo-keto reductase family 1 member B1 | 1 |
| 19265439 | 10.1021/jm801335z | Aromatase | 1 |
| 19265439 | 10.1021/jm801335z | Ribosyldihydronicotinamide dehydrogenase [quinone] | 1 |
| 19265439 | 10.1021/jm801335z | MCF7 | 1 |
| 19265439 | 10.1021/jm801335z | LNCaP | 1 |
| - | 10.6019/CHEMBL3301361 | No relevant target | 1 |
Data from ChEMBL 36 via Core Engine