Compound Detail
CHEMBL5284069
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Basic Information
| ChEMBL ID | CHEMBL5284069 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | INMXVPIDJYQHLS-SBNLOKMTSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
323.2
MW (Da)
2.95
ALogP
3
HBA
2
HBD
62.2
PSA (Ų)
0.85
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 6.44
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Protein mono-ADP-ribosyltransferase PARP16 CHEMBL4105981 | IC50 | 6.44 | 6.44 | 362.0 | 1 |
| Protein mono-ADP-ribosyltransferase PARP3 CHEMBL5083 | IC50 | 4.13 | 4.13 | 74100.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Protein mono-ADP-ribosyltransferase PARP16 | IC50 | = | 362.0 | nM | 6.44 | Inhibition of PARP16 (unknown origin) | 36512711 |
| Protein mono-ADP-ribosyltransferase PARP3 | IC50 | = | 74100.0 | nM | 4.13 | Inhibition of PARP3 (unknown origin) | 36512711 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 36512711 | 10.1021/acs.jmedchem.2c01352 | Protein mono-ADP-ribosyltransferase PARP16 | 1 |
| 36512711 | 10.1021/acs.jmedchem.2c01352 | Protein mono-ADP-ribosyltransferase PARP3 | 1 |
Data from ChEMBL 36 via Core Engine