Compound Detail
CHEMBL5896240
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NS(=O)(=O)c1ccc(Cc2cn(-c3nc(C(=O)O)cs3)c3ccc(OC4CCOCC4)cc23)cc1
Basic Information
| ChEMBL ID | CHEMBL5896240 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MCGJLTPQNTYJGN-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
513.6
MW (Da)
3.58
ALogP
8
HBA
2
HBD
133.7
PSA (Ų)
0.39
QED
1
Ro5 Violations
7
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 6.26
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 6.26 | 6.26 | 550.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 550.0 | nM | 6.26 | Biochemical Assay: Test compounds were placed in a Greiner Bio-One (Monroe, N.C.... | - |
| Unchecked | IC50 | = | 550.0 | nM | 6.26 | Biochemical Assay: Test compounds were placed in a Greiner Bio-One (Monroe, N.C.... | - |
Data from ChEMBL 36 via Core Engine