Compound Detail
CHEMBL5191676
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Basic Information
| ChEMBL ID | CHEMBL5191676 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VRECINGNBPANGK-UHFFFAOYSA-N |
3
Targets
5
Activities
1
Assay Types
0
PK Parameters
10
Publications
0
Known Names
Molecular Properties
322.4
MW (Da)
2.69
ALogP
5
HBA
1
HBD
71.5
PSA (Ų)
0.46
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 5 meas. best 7.85
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Protein mono-ADP-ribosyltransferase PARP11 CHEMBL2380189 | IC50 | 7.85 | 7.85 | 14.0 | 3 |
| Protein mono-ADP-ribosyltransferase PARP14 CHEMBL2176777 | IC50 | 5.54 | 5.54 | 2860.0 | 1 |
| Protein mono-ADP-ribosyltransferase PARP10 CHEMBL2429708 | IC50 | 5.03 | 5.03 | 9280.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Protein mono-ADP-ribosyltransferase PARP11 | IC50 | = | 14.0 | nM | 7.85 | Inhibition of human full length GFP-tagged PARP11 in human HeLa cells incubated ... | 35500474 |
| Protein mono-ADP-ribosyltransferase PARP11 | IC50 | = | 14.0 | nM | 7.85 | Inhibition of PARP11 (unknown origin) | 35608571 |
| Protein mono-ADP-ribosyltransferase PARP11 | IC50 | = | 14.0 | nM | 7.85 | Inhibition of human full length PARP11 expressed in Escherichia coli BL21 (DE3) ... | 36598465 |
| Protein mono-ADP-ribosyltransferase PARP14 | IC50 | = | 2860.0 | nM | 5.54 | Inhibition of PARP14 (unknown origin) | 35608571 |
| Protein mono-ADP-ribosyltransferase PARP10 | IC50 | = | 9280.0 | nM | 5.03 | Inhibition of PARP10 (unknown origin) | 35608571 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 35500474 | 10.1016/j.ejmech.2022.114362 | Protein mono-ADP-ribosyltransferase PARP11 | 1 |
| 35608571 | 10.1021/acs.jmedchem.2c00281 | Protein mono-ADP-ribosyltransferase PARP10 | 1 |
| 35608571 | 10.1021/acs.jmedchem.2c00281 | Protein mono-ADP-ribosyltransferase PARP14 | 1 |
| 35608571 | 10.1021/acs.jmedchem.2c00281 | Protein mono-ADP-ribosyltransferase PARP11 | 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 | Protein mono-ADP-ribosyltransferase PARP3 | 1 |
| 35608571 | 10.1021/acs.jmedchem.2c00281 | Poly [ADP-ribose] polymerase tankyrase-1 | 1 |
| 35608571 | 10.1021/acs.jmedchem.2c00281 | Protein mono-ADP-ribosyltransferase PARP15 | 1 |
| 36598465 | 10.1021/acs.jmedchem.2c01460 | Protein mono-ADP-ribosyltransferase PARP11 | 1 |
Data from ChEMBL 36 via Core Engine