Compound Detail
CHEMBL5572349
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Basic Information
| ChEMBL ID | CHEMBL5572349 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | OFKOVCBQBRHPHJ-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
451.4
MW (Da)
1.76
ALogP
7
HBA
1
HBD
110.2
PSA (Ų)
0.61
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 6.91
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Protein mono-ADP-ribosyltransferase TIPARP CHEMBL2380188 | IC50 | 6.91 | 6.91 | 122.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Protein mono-ADP-ribosyltransferase TIPARP | IC50 | = | 122.0 | nM | 6.91 | Inhibition of PARP7 (unknown origin) measured after 1 hr incubation by microplat... | 38059836 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 38059836 | 10.1021/acs.jmedchem.3c01764 | Protein mono-ADP-ribosyltransferase TIPARP | 2 |
Data from ChEMBL 36 via Core Engine