Compound Detail
CHEMBL5184823
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Basic Information
| ChEMBL ID | CHEMBL5184823 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | PQQFJYPJKKMNMX-UHFFFAOYSA-N |
4
Targets
4
Activities
1
Assay Types
0
PK Parameters
8
Publications
0
Known Names
Molecular Properties
238.2
MW (Da)
2.45
ALogP
3
HBA
1
HBD
76.1
PSA (Ų)
0.89
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 5.77
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| HeLa CHEMBL399 | IC50 | 5.77 | 5.77 | 1700.0 | 1 |
| Protein mono-ADP-ribosyltransferase PARP10 CHEMBL2429708 | IC50 | 5.44 | 5.44 | 3640.0 | 1 |
| Protein mono-ADP-ribosyltransferase PARP15 CHEMBL2176778 | IC50 | 4.96 | 4.96 | 11000.0 | 1 |
| Poly [ADP-ribose] polymerase 2 CHEMBL5366 | IC50 | 4.57 | 4.57 | 27000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| HeLa | IC50 | = | 1700.0 | nM | 5.77 | Cytoprotective activity against human HeLa cells assessed as rescue of PARP10-in... | 35608571 |
| Protein mono-ADP-ribosyltransferase PARP10 | IC50 | = | 3640.0 | nM | 5.44 | Inhibition of C-terminal his-tagged human PARP10 expressed in Escherichia coli R... | 35608571 |
| Protein mono-ADP-ribosyltransferase PARP15 | IC50 | = | 11000.0 | nM | 4.96 | Inhibition of N-terminal his-tagged human PARP15 expressed in Escherichia coli R... | 35608571 |
| Poly [ADP-ribose] polymerase 2 | IC50 | = | 27000.0 | nM | 4.57 | Inhibition of N-terminal his-tagged human PARP2 expressed in Escherichia coli Ro... | 35608571 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 35608571 | 10.1021/acs.jmedchem.2c00281 | Protein mono-ADP-ribosyltransferase PARP10 | 1 |
| 35608571 | 10.1021/acs.jmedchem.2c00281 | Protein mono-ADP-ribosyltransferase PARP15 | 1 |
| 35608571 | 10.1021/acs.jmedchem.2c00281 | Protein mono-ADP-ribosyltransferase PARP14 | 1 |
| 35608571 | 10.1021/acs.jmedchem.2c00281 | Poly [ADP-ribose] polymerase tankyrase-1 | 1 |
| 35608571 | 10.1021/acs.jmedchem.2c00281 | Poly [ADP-ribose] polymerase tankyrase-2 | 1 |
| 35608571 | 10.1021/acs.jmedchem.2c00281 | Poly [ADP-ribose] polymerase 1 | 1 |
| 35608571 | 10.1021/acs.jmedchem.2c00281 | Poly [ADP-ribose] polymerase 2 | 1 |
| 35608571 | 10.1021/acs.jmedchem.2c00281 | HeLa | 1 |
Data from ChEMBL 36 via Core Engine