Compound Detail
CHEMBL4450751
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Basic Information
| ChEMBL ID | CHEMBL4450751 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VYSHKUXCRTVUNN-UHFFFAOYSA-N |
2
Targets
4
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
257.7
MW (Da)
3.29
ALogP
1
HBA
1
HBD
29.1
PSA (Ų)
0.83
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 5.96
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Protein mono-ADP-ribosyltransferase PARP10 CHEMBL2429708 | IC50 | 5.96 | 5.955 | 1100.0 | 2 |
| Protein mono-ADP-ribosyltransferase PARP11 CHEMBL2380189 | IC50 | 5.24 | 5.24 | 5754.4 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Protein mono-ADP-ribosyltransferase PARP10 | IC50 | = | 1100.0 | nM | 5.96 | Inhibition of human PARP10 catalytic domain assessed as reduction in MARylation ... | 30655950 |
| Protein mono-ADP-ribosyltransferase PARP10 | IC50 | = | 1122.02 | nM | 5.95 | Inhibition of human PARP10 catalytic domain assessed as reduction in MARylation ... | 30655950 |
| Protein mono-ADP-ribosyltransferase PARP11 | IC50 | = | 5800.0 | nM | 5.24 | Inhibition of full length human His-SUMO-tagged PARP11 expressed in Escherichia ... | 30655950 |
| Protein mono-ADP-ribosyltransferase PARP11 | IC50 | = | 5754.4 | nM | 5.24 | Inhibition of full length human His-SUMO-tagged PARP11 expressed in Escherichia ... | 30655950 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 30655950 | 10.1021/acsmedchemlett.8b00429 | Protein mono-ADP-ribosyltransferase PARP10 | 2 |
| 30655950 | 10.1021/acsmedchemlett.8b00429 | Protein mono-ADP-ribosyltransferase PARP11 | 2 |
| 30655950 | 10.1021/acsmedchemlett.8b00429 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine