Compound Detail
CHEMBL346886
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Basic Information
| ChEMBL ID | CHEMBL346886 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | GDPZGQDEZJRADO-UHFFFAOYSA-N |
3
Targets
3
Activities
1
Assay Types
1
PK Parameters
11
Publications
0
Known Names
Molecular Properties
304.3
MW (Da)
4.33
ALogP
3
HBA
1
HBD
46.0
PSA (Ų)
0.73
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 8.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Poly [ADP-ribose] polymerase tankyrase-2 CHEMBL6154 | IC50 | 8.0 | 8.0 | 10.0 | 1 |
| Poly [ADP-ribose] polymerase tankyrase-1 CHEMBL6164 | IC50 | 7.32 | 7.32 | 48.0 | 1 |
| Poly [ADP-ribose] polymerase 2 CHEMBL5366 | IC50 | 5.51 | 5.51 | 3098.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| CL | 45.71 | uL.min-1.(10^6cells)-1 | Rattus norvegicus |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Poly [ADP-ribose] polymerase tankyrase-2 | IC50 | = | 10.0 | nM | 8.0 | Inhibition of human tankyrase2 after 2 hrs by spectrophotometry | 24900625 |
| Poly [ADP-ribose] polymerase tankyrase-1 | IC50 | = | 48.0 | nM | 7.32 | Inhibition of human tankyrase1 after 30 mins by spectrophotometry | 24900625 |
| Poly [ADP-ribose] polymerase 2 | IC50 | = | 3098.0 | nM | 5.51 | Inhibition of human PARP-2 (unknown origin) using histone as substrate incubated... | 27163581 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 27163581 | 10.1016/j.ejmech.2016.04.041 | HT-29 | 3 |
| 27163581 | 10.1016/j.ejmech.2016.04.041 | Poly [ADP-ribose] polymerase tankyrase-2 | 3 |
| 24900625 | 10.1021/ml400260b | Unchecked | 2 |
| 9857092 | 10.1021/jm980273t | Poly [ADP-ribose] polymerase 1 | 1 |
| 24900625 | 10.1021/ml400260b | Inosine-5'-monophosphate dehydrogenase 2 | 1 |
| 24900625 | 10.1021/ml400260b | Poly [ADP-ribose] polymerase 1 | 1 |
| 24900625 | 10.1021/ml400260b | Poly [ADP-ribose] polymerase tankyrase-2 | 1 |
| 24900625 | 10.1021/ml400260b | Poly [ADP-ribose] polymerase tankyrase-1 | 1 |
| - | 10.6019/CHEMBL3301361 | ADMET | 1 |
| 27163581 | 10.1016/j.ejmech.2016.04.041 | Tankyrase | 1 |
| 27163581 | 10.1016/j.ejmech.2016.04.041 | Poly [ADP-ribose] polymerase 2 | 1 |
Data from ChEMBL 36 via Core Engine