Compound Detail
CHEMBL5927711
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Nc1ncnc2c1c(SCCO)nn2[C@@H]1O[C@H](CNS(=O)(=O)O)[C@@H](O)[C@@H]1F
Basic Information
| ChEMBL ID | CHEMBL5927711 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JTUOXHCPUNUFHI-ADVRJHOBSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
424.4
MW (Da)
-1.52
ALogP
11
HBA
5
HBD
185.7
PSA (Ų)
0.26
QED
1
Ro5 Violations
7
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 7.46
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Ubiquitin-like modifier-activating enzyme ATG7 CHEMBL2321621 | IC50 | 7.46 | 7.46 | 35.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Ubiquitin-like modifier-activating enzyme ATG7 | IC50 | = | 35.0 | nM | 7.46 | Enzyme Assay: The total volume of the ATG7 enzymatic assay is 50 μL and contains... | - |
Data from ChEMBL 36 via Core Engine