Compound Detail
CHEMBL5172255
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Basic Information
| ChEMBL ID | CHEMBL5172255 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | GGCJGNBVVMDYKM-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
373.0
MW (Da)
1.82
ALogP
4
HBA
3
HBD
96.7
PSA (Ų)
0.66
QED
0
Ro5 Violations
0
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 6.37
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Protein mono-ADP-ribosyltransferase PARP16 CHEMBL4105981 | IC50 | 6.37 | 6.37 | 427.0 | 1 |
| Protein mono-ADP-ribosyltransferase PARP3 CHEMBL5083 | IC50 | 5.47 | 5.47 | 3400.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Protein mono-ADP-ribosyltransferase PARP16 | IC50 | = | 427.0 | nM | 6.37 | Inhibition of PARP16 (unknown origin) using IRE-1 as substrate incubated for 1 h... | 35608571 |
| Protein mono-ADP-ribosyltransferase PARP3 | IC50 | = | 3400.0 | nM | 5.47 | Inhibition of recombinant human PARP3 using IRE-1 as substrate incubated for 1 h... | 35608571 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 35608571 | 10.1021/acs.jmedchem.2c00281 | Protein mono-ADP-ribosyltransferase PARP16 | 1 |
| 35608571 | 10.1021/acs.jmedchem.2c00281 | Protein mono-ADP-ribosyltransferase PARP3 | 1 |
| 33901899 | 10.1016/j.ejmech.2021.113445 | L5178Y | 1 |
Data from ChEMBL 36 via Core Engine