Compound Detail
CHEMBL2431801
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Basic Information
| ChEMBL ID | CHEMBL2431801 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | GCCLEHACQGEQIL-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
348.4
MW (Da)
2.85
ALogP
4
HBA
0
HBD
53.8
PSA (Ų)
0.71
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 6.84
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Poly [ADP-ribose] polymerase tankyrase-1 CHEMBL6164 | IC50 | 6.84 | 6.84 | 144.5 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Poly [ADP-ribose] polymerase tankyrase-1 | IC50 | = | 144.54 | nM | 6.84 | Inhibition of human TNKS1 (1030 to 1317) using NAD+ as substrate by fluorescence... | 24116873 |
| Poly [ADP-ribose] polymerase tankyrase-1 | IC50 | = | 146.0 | nM | 6.84 | Inhibition of human TNKS1 (1030 to 1317) using NAD+ as substrate by fluorescence... | 24116873 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 24116873 | 10.1021/jm401463y | Poly [ADP-ribose] polymerase tankyrase-1 | 2 |
| 24116873 | 10.1021/jm401463y | Unchecked | 2 |
| 24116873 | 10.1021/jm401463y | Poly [ADP-ribose] polymerase 1 | 1 |
| 24116873 | 10.1021/jm401463y | HEK293 | 1 |
Data from ChEMBL 36 via Core Engine