Compound Detail
CHEMBL5762899
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COc1ccc(-c2cc3nc(Cl)cc(N[C@@H]4C[C@H](COS(N)(=O)=O)[C@@H](O)[C@H]4O)n3n2)cc1
Basic Information
| ChEMBL ID | CHEMBL5762899 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | PUMBIYVFJUTEPW-IHHCABKOSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
483.9
MW (Da)
0.80
ALogP
10
HBA
4
HBD
161.3
PSA (Ų)
0.36
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 6.26
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Ubiquitin-conjugating enzyme E2 E1 CHEMBL4105876 | IC50 | 6.26 | 6.26 | 550.0 | 1 |
| Ubiquitin-like modifier-activating enzyme 1 CHEMBL5924 | IC50 | 6.26 | 6.26 | 550.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 6.26 | 6.26 | 550.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Ubiquitin-conjugating enzyme E2 E1 | IC50 | = | 550.0 | nM | 6.26 | HTRF Assay : The UAE enzymatic reaction totals 50 μL and contains 50 mmol HEPES ... | - |
| Ubiquitin-like modifier-activating enzyme 1 | IC50 | = | 550.0 | nM | 6.26 | Ubiquitin Activating Enzyme (UAE) HTRF Assay: The UAE enzymatic reaction totals ... | - |
| Unchecked | IC50 | = | 550.0 | nM | 6.26 | HTRF Assay: he UAE enzymatic reaction totals 50 μL and contains 50 mmol HEPES (p... | - |
Data from ChEMBL 36 via Core Engine