Compound Detail
CHEMBL3617858
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CC(C)=CCC/C(C)=C/Cc1c(O)cc(O)c2c(=O)c(O)c(-c3ccc(O)c(O)c3)oc12
Basic Information
| ChEMBL ID | CHEMBL3617858 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VKMRCKFWXNEANM-VGOFMYFVSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
438.5
MW (Da)
5.22
ALogP
7
HBA
5
HBD
131.4
PSA (Ų)
0.26
QED
1
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.94
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 5.94 | 5.94 | 1150.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 1150.0 | nM | 5.94 | Inhibition of baker's yeast alpha-glucosidase using p-nitrophenyl-alpha-D-glucop... | 26351039 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 26351039 | 10.1016/j.bmcl.2015.08.059 | Unchecked | 2 |
Data from ChEMBL 36 via Core Engine