Compound Detail
CHEMBL6067753
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COc1cccc2cc(-c3ncnc4c3ccn4[C@@H]3C[C@H](C)[C@@H](O)C3)[nH]c12
Basic Information
| ChEMBL ID | CHEMBL6067753 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | SZQQBHIWPCUHJV-QEORTHHSSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
362.4
MW (Da)
3.92
ALogP
5
HBA
2
HBD
76.0
PSA (Ų)
0.58
QED
0
Ro5 Violations
3
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