Compound Detail
CHEMBL5803391
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Cn1cc(Cn2c(=O)c3cc(S(=O)(=O)NC4(C#N)CC4)ccc3n(CC3CC3)c2=O)cn1
Basic Information
| ChEMBL ID | CHEMBL5803391 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | UXTMQWNUMQTWMK-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
454.5
MW (Da)
0.69
ALogP
9
HBA
1
HBD
131.8
PSA (Ų)
0.56
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 7.33
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Poly(ADP-ribose) glycohydrolase CHEMBL1795143 | IC50 | 7.33 | 7.33 | 47.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Poly(ADP-ribose) glycohydrolase | IC50 | = | 47.0 | nM | 7.33 | PARG Assay: PARG In vitro assays were conducted in a total volume of 15 ul in a ... | - |
Data from ChEMBL 36 via Core Engine