Compound Detail
CHEMBL5207717
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Basic Information
| ChEMBL ID | CHEMBL5207717 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | RMIJZTKTCJJVSA-UHFFFAOYSA-N |
4
Targets
4
Activities
1
Assay Types
0
PK Parameters
8
Publications
0
Known Names
Molecular Properties
364.4
MW (Da)
3.59
ALogP
4
HBA
2
HBD
83.0
PSA (Ų)
0.55
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 7.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Protein mono-ADP-ribosyltransferase PARP11 CHEMBL2380189 | IC50 | 7.0 | 7.0 | 99.0 | 1 |
| Protein mono-ADP-ribosyltransferase PARP10 CHEMBL2429708 | IC50 | 6.81 | 6.81 | 156.0 | 1 |
| Protein mono-ADP-ribosyltransferase PARP15 CHEMBL2176778 | IC50 | 6.3 | 6.3 | 496.0 | 1 |
| Protein mono-ADP-ribosyltransferase PARP14 CHEMBL2176777 | IC50 | 6.04 | 6.04 | 917.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Protein mono-ADP-ribosyltransferase PARP11 | IC50 | = | 99.0 | nM | 7.0 | Inhibition of PARP11 (unknown origin) | 35608571 |
| Protein mono-ADP-ribosyltransferase PARP10 | IC50 | = | 156.0 | nM | 6.81 | Inhibition of PARP10 (unknown origin) | 35608571 |
| Protein mono-ADP-ribosyltransferase PARP15 | IC50 | = | 496.0 | nM | 6.3 | Inhibition of PARP15 (unknown origin) | 35608571 |
| Protein mono-ADP-ribosyltransferase PARP14 | IC50 | = | 917.0 | nM | 6.04 | Inhibition of PARP14 (unknown origin) | 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 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 |
Data from ChEMBL 36 via Core Engine