Compound Detail
CHEMBL4293771
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Basic Information
| ChEMBL ID | CHEMBL4293771 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WNYIDDKTEYNPSM-UHFFFAOYSA-N |
3
Targets
5
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
306.2
MW (Da)
3.13
ALogP
2
HBA
1
HBD
52.3
PSA (Ų)
0.94
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 5 meas. best 6.2
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Protein mono-ADP-ribosyltransferase PARP14 CHEMBL2176777 | IC50 | 6.2 | 6.2 | 630.0 | 1 |
| Protein mono-ADP-ribosyltransferase PARP15 CHEMBL2176778 | IC50 | 5.92 | 5.92 | 1200.0 | 1 |
| Protein mono-ADP-ribosyltransferase PARP10 CHEMBL2429708 | IC50 | 5.66 | 5.6467 | 2187.8 | 3 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Protein mono-ADP-ribosyltransferase PARP14 | IC50 | = | 630.0 | nM | 6.2 | Inhibition of PARP14 (unknown origin) using NAD+ as substrate incubated for 18 h... | 34801828 |
| Protein mono-ADP-ribosyltransferase PARP15 | IC50 | = | 1200.0 | nM | 5.92 | Inhibition of PARP15 (482 to 678 residues) (unknown origin) expressed in Escheri... | 34801828 |
| Protein mono-ADP-ribosyltransferase PARP10 | IC50 | = | 2200.0 | nM | 5.66 | Inhibition of C-terminal His-tagged human ARTD10 (809 to 1017 residues) expresse... | 30006177 |
| Protein mono-ADP-ribosyltransferase PARP10 | IC50 | = | 2187.76 | nM | 5.66 | Inhibition of C-terminal His-tagged human ARTD10 (809 to 1017 residues) expresse... | 30006177 |
| Protein mono-ADP-ribosyltransferase PARP10 | IC50 | = | 2400.0 | nM | 5.62 | Inhibition of PARP10 (809 to 1017 residues) (unknown origin) expressed in Escher... | 34801828 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 30006177 | 10.1016/j.ejmech.2018.06.047 | Protein mono-ADP-ribosyltransferase PARP10 | 2 |
| 34801828 | 10.1016/j.bmc.2021.116511 | Protein mono-ADP-ribosyltransferase PARP15 | 1 |
| 34801828 | 10.1016/j.bmc.2021.116511 | Protein mono-ADP-ribosyltransferase PARP14 | 1 |
| 34801828 | 10.1016/j.bmc.2021.116511 | Protein mono-ADP-ribosyltransferase PARP10 | 1 |
| 34801828 | 10.1016/j.bmc.2021.116511 | Poly [ADP-ribose] polymerase tankyrase-2 | 1 |
| 34801828 | 10.1016/j.bmc.2021.116511 | Poly [ADP-ribose] polymerase 2 | 1 |
Data from ChEMBL 36 via Core Engine