Compound Detail
CHEMBL5186967
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Basic Information
| ChEMBL ID | CHEMBL5186967 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BFGNGDGWDOFCPT-UHFFFAOYSA-N |
4
Targets
6
Activities
2
Assay Types
0
PK Parameters
13
Publications
0
Known Names
Molecular Properties
205.3
MW (Da)
1.96
ALogP
2
HBA
1
HBD
52.3
PSA (Ų)
0.82
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 5 meas. best 6.54
EC50 1 meas. best 6.23
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Protein mono-ADP-ribosyltransferase PARP10 CHEMBL2429708 | IC50 | 6.54 | 6.54 | 288.4 | 2 |
| HeLa CHEMBL399 | EC50 | 6.23 | 6.23 | 590.0 | 1 |
| Protein mono-ADP-ribosyltransferase PARP15 CHEMBL2176778 | IC50 | 5.62 | 5.62 | 2398.8 | 2 |
| Poly [ADP-ribose] polymerase 2 CHEMBL5366 | IC50 | 4.42 | 4.42 | 38000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Protein mono-ADP-ribosyltransferase PARP10 | IC50 | = | 290.0 | nM | 6.54 | Inhibition of human PARP-10 using NAD+ as substrate incubated for 10 mins by flu... | 35500474 |
| Protein mono-ADP-ribosyltransferase PARP10 | IC50 | = | 288.4 | nM | 6.54 | Inhibition of human PARP-10 using NAD+ as substrate incubated for 10 mins by flu... | 35500474 |
| HeLa | EC50 | = | 590.0 | nM | 6.23 | Rescue of cell viability in human HeLa cells expressing wild type PARP10 at upto... | 35500474 |
| Protein mono-ADP-ribosyltransferase PARP15 | IC50 | = | 2400.0 | nM | 5.62 | Inhibition of human N-terminal 6His-tagged PARP15 (460 to 656 residues) expresse... | 35500474 |
| Protein mono-ADP-ribosyltransferase PARP15 | IC50 | = | 2398.83 | nM | 5.62 | Inhibition of human N-terminal 6His-tagged PARP15 (460 to 656 residues) expresse... | 35500474 |
| Poly [ADP-ribose] polymerase 2 | IC50 | = | 38000.0 | nM | 4.42 | Inhibition of human PARP2 using NAD+ as substrate incubated for 10 mins by fluor... | 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 | HeLa | 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 | Poly [ADP-ribose] polymerase 1 | 1 |
| 35500474 | 10.1016/j.ejmech.2022.114362 | Protein mono-ADP-ribosyltransferase PARP3 | 1 |
| 35500474 | 10.1016/j.ejmech.2022.114362 | Protein mono-ADP-ribosyltransferase PARP4 | 1 |
| 35500474 | 10.1016/j.ejmech.2022.114362 | Poly [ADP-ribose] polymerase tankyrase-1 | 1 |
| 35500474 | 10.1016/j.ejmech.2022.114362 | Protein mono-ADP-ribosyltransferase PARP12 | 1 |
| 35500474 | 10.1016/j.ejmech.2022.114362 | Protein mono-ADP-ribosyltransferase PARP16 | 1 |
| 35500474 | 10.1016/j.ejmech.2022.114362 | HEK-293T | 1 |
Data from ChEMBL 36 via Core Engine