Compound Detail
CHEMBL4290134
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Basic Information
| ChEMBL ID | CHEMBL4290134 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QTABKBZRAZXDQK-UHFFFAOYSA-N |
3
Targets
5
Activities
2
Assay Types
0
PK Parameters
10
Publications
0
Known Names
Molecular Properties
278.4
MW (Da)
3.89
ALogP
2
HBA
1
HBD
45.8
PSA (Ų)
0.73
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 8.3
EC50 1 meas. best 5.82
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Poly [ADP-ribose] polymerase tankyrase-1 CHEMBL6164 | IC50 | 8.3 | 8.2333 | 5.0 | 3 |
| Poly [ADP-ribose] polymerase tankyrase-2 CHEMBL6154 | IC50 | 8.06 | 8.06 | 8.7 | 1 |
| Tankyrase 1/2 CHEMBL3038515 | EC50 | 5.82 | 5.82 | 1500.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Poly [ADP-ribose] polymerase tankyrase-1 | IC50 | = | 5.0 | nM | 8.3 | Inhibition of human TNKS1 (1030 to 1317 residues) by fluorescence based activity... | 29107427 |
| Poly [ADP-ribose] polymerase tankyrase-1 | IC50 | = | 5.0 | nM | 8.3 | Inhibition of human recombinant full length TNKS1 (1030 to 1317 residues) expres... | 32877803 |
| Poly [ADP-ribose] polymerase tankyrase-1 | IC50 | = | 7.9 | nM | 8.1 | Inhibition of GST tagged-TEV cleavage site-fused human recombinant TNKS1 (1023 t... | 31381853 |
| Poly [ADP-ribose] polymerase tankyrase-2 | IC50 | = | 8.7 | nM | 8.06 | Inhibition of GST tagged-TEV cleavage site-fused human recombinant TNKS2 (873 to... | 31381853 |
| Tankyrase 1/2 | EC50 | = | 1500.0 | nM | 5.82 | Inhibition of tankyrase 1/2 in human DLD1 cells assessed as increase in axin2 ac... | 31381853 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 31381853 | 10.1021/acs.jmedchem.9b00656 | Poly [ADP-ribose] polymerase 1 | 2 |
| 31381853 | 10.1021/acs.jmedchem.9b00656 | ADMET | 2 |
| 37473690 | 10.1016/j.ejmech.2023.115631 | Nuclear receptor subfamily 1 group I member 3 | 2 |
| 29107427 | 10.1016/j.ejmech.2017.09.030 | Poly [ADP-ribose] polymerase tankyrase-1 | 1 |
| 31381853 | 10.1021/acs.jmedchem.9b00656 | Tankyrase 1/2 | 1 |
| 31381853 | 10.1021/acs.jmedchem.9b00656 | No relevant target | 1 |
| 31381853 | 10.1021/acs.jmedchem.9b00656 | Poly [ADP-ribose] polymerase tankyrase-1 | 1 |
| 31381853 | 10.1021/acs.jmedchem.9b00656 | Poly [ADP-ribose] polymerase tankyrase-2 | 1 |
| 32877803 | 10.1016/j.ejmech.2020.112712 | Poly [ADP-ribose] polymerase tankyrase-1 | 1 |
| 37473690 | 10.1016/j.ejmech.2023.115631 | HepG2 | 1 |
Data from ChEMBL 36 via Core Engine