Compound Detail
CHEMBL572017
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
C/C=C1/[C@H]2OC=C(C(=O)O)[C@H]1CC(=O)OC[C@H](c1ccc(O)c(O)c1)OC[C@H]1O[C@@H](O2)[C@H](O)[C@@H](O)[C@@H]1O
Basic Information
| ChEMBL ID | CHEMBL572017 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HYGUFHOLLCKYHM-BASFMAEZSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
1
Known Names
Molecular Properties
524.5
MW (Da)
-0.19
ALogP
12
HBA
6
HBD
201.7
PSA (Ų)
0.17
QED
3
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.11
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Transcription factor HES-1 CHEMBL1075292 | IC50 | 5.11 | 5.11 | 7800.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Transcription factor HES-1 | IC50 | = | 7800.0 | nM | 5.11 | Inhibition of Cy3-labeled mouse recombinant Hes1 (3-281) dimer formation express... | 19716294 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 19716294 | 10.1016/j.bmcl.2009.07.146 | Transcription factor HES-1 | 1 |
Data from ChEMBL 36 via Core Engine