Compound Detail
CHEMBL2152485
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COc1cc([C@@H]2Oc3c(OC)cc(CCCO)cc3[C@@H]2CO[C@@H]2OC[C@@H](O)[C@H](O)[C@H]2O)ccc1O
Basic Information
| ChEMBL ID | CHEMBL2152485 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | GZLTWCGHVQYMHT-AEWAWPMYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
492.5
MW (Da)
1.01
ALogP
10
HBA
5
HBD
147.3
PSA (Ų)
0.34
QED
0
Ro5 Violations
9
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 4.11
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 4.11 | 4.11 | 77100.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 77100.0 | nM | 4.11 | 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