Compound Detail
CHEMBL2152489
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O=C1C[C@H](c2ccc(O)cc2)Oc2cc(O)cc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c21
Basic Information
| ChEMBL ID | CHEMBL2152489 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MFQIWHVVFBCURA-KYSZGLPYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
434.4
MW (Da)
-0.02
ALogP
10
HBA
6
HBD
166.1
PSA (Ų)
0.39
QED
1
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 4.4
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 4.4 | 4.4 | 39800.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 39800.0 | nM | 4.4 | Inhibition of Bacillus stearothermophilus alpha-glucosidase type 4 | 23025417 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 23025417 | 10.1021/np300402k | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine