Compound Detail
CHEMBL5190289
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Cc1cccc(C(=O)N[C@@H](CNC(=O)c2ccc3c(=O)[nH][nH]c(=O)c3c2)C(N)=O)c1
Basic Information
| ChEMBL ID | CHEMBL5190289 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | PUFUAFGCANGLMI-HNNXBMFYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
409.4
MW (Da)
-0.46
ALogP
5
HBA
5
HBD
167.0
PSA (Ų)
0.37
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 6.7
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Protein mono-ADP-ribosyltransferase PARP15 CHEMBL2176778 | IC50 | 6.7 | 6.7 | 200.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Protein mono-ADP-ribosyltransferase PARP15 | IC50 | = | 200.0 | nM | 6.7 | Inhibition of biotinylated recombinant human PARP15 expressed in Escherichia col... | 35608571 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 35608571 | 10.1021/acs.jmedchem.2c00281 | Protein mono-ADP-ribosyltransferase PARP15 | 1 |
Data from ChEMBL 36 via Core Engine