Compound Detail
CHEMBL4544104
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Basic Information
| ChEMBL ID | CHEMBL4544104 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZZFIVVAQPLYJOE-UHFFFAOYSA-N |
2
Targets
4
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
237.3
MW (Da)
2.95
ALogP
1
HBA
1
HBD
29.1
PSA (Ų)
0.81
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 5.8
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Protein mono-ADP-ribosyltransferase PARP10 CHEMBL2429708 | IC50 | 5.8 | 5.8 | 1584.9 | 2 |
| Protein mono-ADP-ribosyltransferase PARP11 CHEMBL2380189 | IC50 | 4.58 | 4.58 | 26302.7 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Protein mono-ADP-ribosyltransferase PARP10 | IC50 | = | 1584.89 | nM | 5.8 | Inhibition of human PARP10 catalytic domain assessed as reduction in MARylation ... | 30655950 |
| Protein mono-ADP-ribosyltransferase PARP10 | IC50 | = | 1600.0 | nM | 5.8 | Inhibition of human PARP10 catalytic domain assessed as reduction in MARylation ... | 30655950 |
| Protein mono-ADP-ribosyltransferase PARP11 | IC50 | = | 26400.0 | nM | 4.58 | Inhibition of full length human His-SUMO-tagged PARP11 expressed in Escherichia ... | 30655950 |
| Protein mono-ADP-ribosyltransferase PARP11 | IC50 | = | 26302.68 | nM | 4.58 | 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 |
| 30655950 | 10.1021/acsmedchemlett.8b00429 | No relevant target | 1 |
Data from ChEMBL 36 via Core Engine