Compound Detail
CHEMBL2159231
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CO[C@@H]1[C@@H](O)[C@@H](O)[C@H](Oc2ccc(CCNC(C)=O)c(-c3cccc(C(F)(F)F)c3)c2)OC1(C)C
Basic Information
| ChEMBL ID | CHEMBL2159231 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KQQHONCNKVGSRS-WBADGQHESA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
497.5
MW (Da)
3.30
ALogP
6
HBA
3
HBD
97.2
PSA (Ų)
0.54
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 6.73
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | EC50 | 6.73 | 6.73 | 187.7 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | EC50 | = | 187.7 | nM | 6.73 | Cytoprotective activity against glucotoxicity in Sprague-Dawley rat DRG neurons ... | 22702513 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 22702513 | 10.1021/jm300544c | Unchecked | 2 |
| 24953820 | 10.1016/j.bmcl.2014.05.020 | NON-PROTEIN TARGET | 1 |
| 24953820 | 10.1016/j.bmcl.2014.05.020 | MCF7 | 1 |
Data from ChEMBL 36 via Core Engine