Compound Detail
CHEMBL5988106
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COc1ccc2cc(-c3ncnc4c3ccn4[C@@H]3C[C@@H](COS(N)(=O)=O)[C@@H](O)C3)n(C(=O)OC(C)(C)C)c2c1
Basic Information
| ChEMBL ID | CHEMBL5988106 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VRTUMOBMFCLTAF-JKSBSHDWSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
557.6
MW (Da)
3.38
ALogP
11
HBA
2
HBD
160.8
PSA (Ų)
0.36
QED
2
Ro5 Violations
6
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.99
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Ubiquitin-like modifier-activating enzyme 6 CHEMBL2321622 | IC50 | 5.99 | 5.99 | 1025.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Ubiquitin-like modifier-activating enzyme 6 | IC50 | = | 1025.0 | nM | 5.99 | UBA6 AlphaScreen Assay: The UBA6 enzmatic reaction totals 20 μL and contains 50 ... | - |
Data from ChEMBL 36 via Core Engine