Compound Detail
CHEMBL468439
CYCLOPROPARADICICOL 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@@H]1C[C@H]2C[C@@H]2/C=C\C=C\C(=O)Cc2c(Cl)c(O)cc(O)c2C(=O)O1
Basic Information
| ChEMBL ID | CHEMBL468439 |
| Name | CYCLOPROPARADICICOL |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YXWAGDSTADMCGH-NEHQNTPFSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
362.8
MW (Da)
3.56
ALogP
5
HBA
2
HBD
83.8
PSA (Ų)
0.69
QED
0
Ro5 Violations
0
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 7.37
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| MCF7 CHEMBL387 | IC50 | 7.37 | 7.37 | 43.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| MCF7 | IC50 | = | 43.0 | nM | 7.37 | Cytotoxicity against human MCF7 cells | 19017562 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 17603540 | 10.1038/nchembio.2007.10 | Heat shock protein HSP 90-beta | 14 |
| 19017562 | 10.1016/j.bmc.2008.10.087 | MCF7 | 1 |
| 19017562 | 10.1016/j.bmc.2008.10.087 | Heat shock protein HSP 90-beta | 1 |
Data from ChEMBL 36 via Core Engine