Compound Detail
CHEMBL5178746
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Basic Information
| ChEMBL ID | CHEMBL5178746 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JSDGGEOTFRHCLS-GJZGRUSLSA-N |
1
Targets
4
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
253.3
MW (Da)
2.25
ALogP
2
HBA
2
HBD
49.3
PSA (Ų)
0.82
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 5.51
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Protein mono-ADP-ribosyltransferase PARP3 CHEMBL5083 | IC50 | 5.51 | 5.51 | 3100.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Protein mono-ADP-ribosyltransferase PARP3 | IC50 | = | 3100.0 | nM | 5.51 | Inhibition of recombinant human PARP3 using IRE-1 as substrate incubated for 1 h... | 35608571 |
| Protein mono-ADP-ribosyltransferase PARP3 | IC50 | = | 3100.0 | nM | 5.51 | Inhibition of recombinant human PARP3 expressed in baculovirus expression system... | 35377645 |
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 |
| 35377645 | 10.1021/acs.jmedchem.1c01897 | Protein mono-ADP-ribosyltransferase PARP3 | 1 |
| 35377645 | 10.1021/acs.jmedchem.1c01897 | Protein mono-ADP-ribosyltransferase PARP16 | 1 |
Data from ChEMBL 36 via Core Engine