Compound Detail
CHEMBL5179405
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Basic Information
| ChEMBL ID | CHEMBL5179405 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NKZDEFKPZSLQRF-MQMHXKEQSA-N |
1
Targets
3
Activities
1
Assay Types
0
PK Parameters
20
Publications
0
Known Names
Molecular Properties
378.5
MW (Da)
3.39
ALogP
5
HBA
2
HBD
75.2
PSA (Ų)
0.81
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 8.52
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Protein mono-ADP-ribosyltransferase PARP14 CHEMBL2176777 | IC50 | 8.52 | 8.52 | 3.0 | 3 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Protein mono-ADP-ribosyltransferase PARP14 | IC50 | = | 3.0 | nM | 8.52 | Displacement of a biotinylated small molecule probe from human PARP14 catalytic ... | 35500474 |
| Protein mono-ADP-ribosyltransferase PARP14 | IC50 | = | 3.0 | nM | 8.52 | Inhibition of PARP14 (unknown origin) by TR-FRET assay | 35608571 |
| Protein mono-ADP-ribosyltransferase PARP14 | IC50 | = | 3.0 | nM | 8.52 | Inhibition of human PARP14 by TR-FRET assay | 36598465 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.6019/CHEMBL5303304 | U2OS | 10 |
| - | 10.6019/CHEMBL5303304 | HEK-293T | 4 |
| - | 10.6019/CHEMBL5303304 | Fibroblast | 3 |
| - | 10.6019/CHEMBL5308504 | Tyrosine-protein kinase ABL1 | 1 |
| - | 10.6019/CHEMBL5724796 | Bromodomain-containing protein 4 | 1 |
| - | 10.6019/CHEMBL5724796 | Mitogen-activated protein kinase 1 | 1 |
| - | 10.6019/CHEMBL5724796 | Glycogen synthase kinase-3 beta | 1 |
| - | 10.6019/CHEMBL5724796 | Cyclin-dependent kinase 2 | 1 |
| - | 10.6019/CHEMBL5724796 | Casein kinase I isoform delta | 1 |
| 36598465 | 10.1021/acs.jmedchem.2c01460 | Protein mono-ADP-ribosyltransferase PARP14 | 1 |
| - | 10.6019/CHEMBL5308504 | Bromodomain-containing protein 4 | 1 |
| - | 10.6019/CHEMBL5308504 | Transcription intermediary factor 1-alpha | 1 |
| - | 10.6019/CHEMBL5308504 | Peregrin | 1 |
| - | 10.6019/CHEMBL5308504 | Fibroblast growth factor receptor 3 | 1 |
| 35500474 | 10.1016/j.ejmech.2022.114362 | Protein mono-ADP-ribosyltransferase PARP14 | 1 |
| - | 10.6019/CHEMBL5308504 | Aurora kinase A | 1 |
| - | 10.6019/CHEMBL5308504 | Mitogen-activated protein kinase 1 | 1 |
| - | 10.6019/CHEMBL5308504 | Glycogen synthase kinase-3 beta | 1 |
| - | 10.6019/CHEMBL5308504 | Cyclin-dependent kinase 2 | 1 |
| - | 10.6019/CHEMBL5308504 | Casein kinase I isoform delta | 1 |
Data from ChEMBL 36 via Core Engine