Compound Detail
CHEMBL5940945
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NS(=O)(=O)OC[C@H]1C[C@@H](Nc2ccnc3cc(-c4cccc(Cc5ccccc5)c4)nn23)[C@H](O)[C@@H]1O
Basic Information
| ChEMBL ID | CHEMBL5940945 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XBFRVNJVAJTVDV-PPZUDANNSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
509.6
MW (Da)
1.73
ALogP
9
HBA
4
HBD
152.1
PSA (Ų)
0.28
QED
1
Ro5 Violations
8
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