Compound Detail
CHEMBL5187187
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Basic Information
| ChEMBL ID | CHEMBL5187187 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MWPKIJXVHHDLCZ-UHFFFAOYSA-N |
2
Targets
4
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
246.3
MW (Da)
1.40
ALogP
3
HBA
2
HBD
75.0
PSA (Ų)
0.86
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 6.81
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Protein mono-ADP-ribosyltransferase PARP10 CHEMBL2429708 | IC50 | 6.81 | 6.805 | 154.9 | 2 |
| Protein mono-ADP-ribosyltransferase PARP15 CHEMBL2176778 | IC50 | 6.43 | 6.375 | 370.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Protein mono-ADP-ribosyltransferase PARP10 | IC50 | = | 154.88 | nM | 6.81 | Inhibition of human PARP-10 using NAD+ as substrate incubated for 10 mins by flu... | 35500474 |
| Protein mono-ADP-ribosyltransferase PARP10 | IC50 | = | 160.0 | nM | 6.8 | Inhibition of human PARP-10 using NAD+ as substrate incubated for 10 mins by flu... | 35500474 |
| Protein mono-ADP-ribosyltransferase PARP15 | IC50 | = | 370.0 | nM | 6.43 | Inhibition of human N-terminal 6His-tagged PARP15 (460 to 656 residues) expresse... | 35500474 |
| Protein mono-ADP-ribosyltransferase PARP15 | IC50 | = | 478.63 | nM | 6.32 | Inhibition of human N-terminal 6His-tagged PARP15 (460 to 656 residues) expresse... | 35500474 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 35500474 | 10.1016/j.ejmech.2022.114362 | Protein mono-ADP-ribosyltransferase PARP10 | 2 |
| 35500474 | 10.1016/j.ejmech.2022.114362 | Protein mono-ADP-ribosyltransferase PARP15 | 2 |
| 35500474 | 10.1016/j.ejmech.2022.114362 | Protein mono-ADP-ribosyltransferase PARP14 | 1 |
| 35500474 | 10.1016/j.ejmech.2022.114362 | Poly [ADP-ribose] polymerase 2 | 1 |
| 35500474 | 10.1016/j.ejmech.2022.114362 | Poly [ADP-ribose] polymerase tankyrase-2 | 1 |
| 35500474 | 10.1016/j.ejmech.2022.114362 | HEK-293T | 1 |
Data from ChEMBL 36 via Core Engine