Compound Detail
CHEMBL6065415
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CCc1ccc2sc(-c3cc4nccc(N[C@@H]5C[C@H](COS(N)(=O)=O)[C@@H](O)[C@H]5O)n4n3)cc2c1
Basic Information
| ChEMBL ID | CHEMBL6065415 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MEJVUUFUGXLCAU-SLBVSICGSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
503.6
MW (Da)
1.92
ALogP
10
HBA
4
HBD
152.1
PSA (Ų)
0.30
QED
1
Ro5 Violations
7
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 7.26
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Ubiquitin-conjugating enzyme E2 E1 CHEMBL4105876 | IC50 | 7.26 | 7.26 | 55.0 | 1 |
| Ubiquitin-like modifier-activating enzyme 1 CHEMBL5924 | IC50 | 7.26 | 7.26 | 55.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 7.26 | 7.26 | 55.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Ubiquitin-conjugating enzyme E2 E1 | IC50 | = | 55.0 | nM | 7.26 | HTRF Assay : The UAE enzymatic reaction totals 50 μL and contains 50 mmol HEPES ... | - |
| Ubiquitin-like modifier-activating enzyme 1 | IC50 | = | 55.0 | nM | 7.26 | Ubiquitin Activating Enzyme (UAE) HTRF Assay: The UAE enzymatic reaction totals ... | - |
| Unchecked | IC50 | = | 55.0 | nM | 7.26 | HTRF Assay: he UAE enzymatic reaction totals 50 μL and contains 50 mmol HEPES (p... | - |
Data from ChEMBL 36 via Core Engine