Compound Detail
CHEMBL4080281
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Basic Information
| ChEMBL ID | CHEMBL4080281 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ULHCPLHSELMUEW-QXMHVHEDSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
405.5
MW (Da)
3.15
ALogP
3
HBA
2
HBD
92.5
PSA (Ų)
0.69
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 6.19
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Protein mono-ADP-ribosyltransferase PARP14 CHEMBL2176777 | IC50 | 6.19 | 6.18 | 650.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Protein mono-ADP-ribosyltransferase PARP14 | IC50 | = | 650.0 | nM | 6.19 | Inhibition of recombinant human His6-tagged PARP14 catalytic/WWE domain (1459 to... | 28495083 |
| Protein mono-ADP-ribosyltransferase PARP14 | IC50 | = | 676.08 | nM | 6.17 | Inhibition of recombinant human His6-tagged PARP14 catalytic/WWE domain (1459 to... | 28495083 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 28495083 | 10.1016/j.bmcl.2017.04.089 | Protein mono-ADP-ribosyltransferase PARP14 | 2 |
Data from ChEMBL 36 via Core Engine