Compound Detail
CHEMBL4439240
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Basic Information
| ChEMBL ID | CHEMBL4439240 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | RSDNLMODCLIZFE-UHFFFAOYSA-N |
3
Targets
4
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
431.4
MW (Da)
0.92
ALogP
6
HBA
2
HBD
92.8
PSA (Ų)
0.75
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 8.36
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Tankyrase 1/2 CHEMBL3038515 | IC50 | 8.36 | 7.92 | 4.4 | 2 |
| Poly [ADP-ribose] polymerase tankyrase-1 CHEMBL6164 | IC50 | 7.85 | 7.85 | 14.1 | 1 |
| Poly [ADP-ribose] polymerase tankyrase-2 CHEMBL6154 | IC50 | 7.56 | 7.56 | 27.6 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Tankyrase 1/2 | IC50 | = | 4.4 | nM | 8.36 | Inhibition of TNKS/TNKS2 (unknown origin) expressed in HEK293 cells assessed as ... | 32202790 |
| Poly [ADP-ribose] polymerase tankyrase-1 | IC50 | = | 14.1 | nM | 7.85 | Inhibition of recombinant human N-terminal TEV cleavage site-fused/FLAG-poly his... | 32202790 |
| Poly [ADP-ribose] polymerase tankyrase-2 | IC50 | = | 27.6 | nM | 7.56 | Inhibition of recombinant human N-terminal TEV cleavage site-fused/FLAG-poly his... | 32202790 |
| Tankyrase 1/2 | IC50 | = | 32.9 | nM | 7.48 | Inhibition of TNKS/TNKS2 (unknown origin) expressed in human DLD1 cells assessed... | 32202790 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 32202790 | 10.1021/acs.jmedchem.0c00045 | Tankyrase 1/2 | 2 |
| 32202790 | 10.1021/acs.jmedchem.0c00045 | Poly [ADP-ribose] polymerase tankyrase-1 | 1 |
| 32202790 | 10.1021/acs.jmedchem.0c00045 | Poly [ADP-ribose] polymerase tankyrase-2 | 1 |
| 32202790 | 10.1021/acs.jmedchem.0c00045 | COLO 320DM | 1 |
Data from ChEMBL 36 via Core Engine