Compound Detail
CHEMBL4277166
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Basic Information
| ChEMBL ID | CHEMBL4277166 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | PFSGBISBXBLFEY-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
231.2
MW (Da)
2.72
ALogP
2
HBA
1
HBD
52.3
PSA (Ų)
0.88
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 5.77
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Protein mono-ADP-ribosyltransferase PARP10 CHEMBL2429708 | IC50 | 5.77 | 5.77 | 1698.2 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Protein mono-ADP-ribosyltransferase PARP10 | IC50 | = | 1700.0 | nM | 5.77 | Inhibition of C-terminal His-tagged human ARTD10 (809 to 1017 residues) expresse... | 30006177 |
| Protein mono-ADP-ribosyltransferase PARP10 | IC50 | = | 1698.24 | nM | 5.77 | Inhibition of C-terminal His-tagged human ARTD10 (809 to 1017 residues) expresse... | 30006177 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 30006177 | 10.1016/j.ejmech.2018.06.047 | Protein mono-ADP-ribosyltransferase PARP10 | 2 |
Data from ChEMBL 36 via Core Engine