Compound Detail
CHEMBL5187963
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Basic Information
| ChEMBL ID | CHEMBL5187963 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ANAUZAZPUGQDNM-UHFFFAOYSA-N |
4
Targets
5
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
284.3
MW (Da)
2.31
ALogP
5
HBA
1
HBD
71.5
PSA (Ų)
0.59
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 5 meas. best 6.7
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Protein mono-ADP-ribosyltransferase PARP11 CHEMBL2380189 | IC50 | 6.7 | 6.7 | 200.0 | 1 |
| Poly [ADP-ribose] polymerase 1 CHEMBL3105 | IC50 | 6.1 | 6.1 | 800.0 | 1 |
| Poly [ADP-ribose] polymerase 2 CHEMBL5366 | IC50 | 6.1 | 5.45 | 800.0 | 2 |
| Protein mono-ADP-ribosyltransferase PARP14 CHEMBL2176777 | IC50 | 5.89 | 5.89 | 1300.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Protein mono-ADP-ribosyltransferase PARP11 | IC50 | = | 200.0 | nM | 6.7 | Inhibition of N-terminal His-tagged full length human PARP11 expressed in Escher... | 34825190 |
| Poly [ADP-ribose] polymerase 2 | IC50 | = | 800.0 | nM | 6.1 | Inhibition of N-terminal His-tagged full length human PARP2 expressed in Escheri... | 34825190 |
| Poly [ADP-ribose] polymerase 1 | IC50 | = | 800.0 | nM | 6.1 | Inhibition of PARP1 (unknown origin) | 35608571 |
| Protein mono-ADP-ribosyltransferase PARP14 | IC50 | = | 1300.0 | nM | 5.89 | Inhibition of PARP14 (unknown origin) | 35608571 |
| Poly [ADP-ribose] polymerase 2 | IC50 | = | 16000.0 | nM | 4.8 | Inhibition of PARP2 (unknown origin) | 35608571 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 34825190 | 10.1039/D1MD00195G | Poly [ADP-ribose] polymerase 2 | 1 |
| 34825190 | 10.1039/D1MD00195G | Protein mono-ADP-ribosyltransferase PARP11 | 1 |
| 34825190 | 10.1039/D1MD00195G | Protein mono-ADP-ribosyltransferase PARP4 | 1 |
| 35608571 | 10.1021/acs.jmedchem.2c00281 | Protein mono-ADP-ribosyltransferase PARP14 | 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 |
Data from ChEMBL 36 via Core Engine