Compound Detail
CHEMBL5779623
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Cc1ncc(Cn2c(=O)c3cc(S(=O)(=O)NC4(C#N)CC4)ccc3n(Cc3sc(C)nc3C)c2=O)s1
Basic Information
| ChEMBL ID | CHEMBL5779623 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZZRINMZUPJCDQB-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
542.7
MW (Da)
2.43
ALogP
11
HBA
1
HBD
139.7
PSA (Ų)
0.38
QED
2
Ro5 Violations
7
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 8.1
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Poly(ADP-ribose) glycohydrolase CHEMBL1795143 | IC50 | 8.1 | 8.1 | 8.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Poly(ADP-ribose) glycohydrolase | IC50 | = | 8.0 | nM | 8.1 | PARG Assay: PARG In vitro assays were conducted in a total volume of 15 ul in a ... | - |
Data from ChEMBL 36 via Core Engine