Compound Detail
CHEMBL4451084
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Cc1cc(=O)c2c(O)cc(O)c([C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c2o1
Basic Information
| ChEMBL ID | CHEMBL4451084 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | UDTUCCXZNVRBEJ-PBVFJORSSA-N |
2
Targets
4
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
354.3
MW (Da)
-0.97
ALogP
9
HBA
6
HBD
160.8
PSA (Ų)
0.40
QED
1
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 5.57
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Synaptojanin-2 CHEMBL4523129 | IC50 | 5.57 | 5.57 | 2710.0 | 3 |
| RAW264.7 CHEMBL612557 | IC50 | 4.34 | 4.34 | 46000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Synaptojanin-2 | IC50 | = | 2710.0 | nM | 5.57 | Inhibition of C-Myc/DDK-tagged human recombinant SYNJ2 expressed in HEK293T cell... | - |
| Synaptojanin-2 | IC50 | = | 2710.0 | nM | 5.57 | Inhibition of C-Myc/DDK-tagged human recombinant SYNJ2 expressed in HEK293T cell... | - |
| Synaptojanin-2 | IC50 | = | 2710.0 | nM | 5.57 | Inhibition of recombinant full length C-Myc/DDK-tagged human SYNJ2 expressed in ... | - |
| RAW264.7 | IC50 | = | 46000.0 | nM | 4.34 | Antiinflammatory activity in mouse RAW264.7 cells assessed as inhibition of LPS-... | 26977531 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 26977531 | 10.1021/acs.jnatprod.5b00609 | RAW264.7 | 2 |
Data from ChEMBL 36 via Core Engine