Compound Detail
CHEMBL5396667
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
CC1(C)CCc2c(O)cc(CCc3cc(O)c4c(c3)C[C@@H]3C(C)(C)[C@H](OC=O)CC[C@@]3(C)O4)cc2O1
Basic Information
| ChEMBL ID | CHEMBL5396667 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | CFKFSLXHHGZHHP-VOKYQHOCSA-N |
3
Targets
3
Activities
2
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
494.6
MW (Da)
5.66
ALogP
6
HBA
2
HBD
85.2
PSA (Ų)
0.52
QED
1
Ro5 Violations
5
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 7.17
Ki 1 meas. best 5.49
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| U-87 MG CHEMBL614247 | IC50 | 7.17 | 7.17 | 67.0 | 1 |
| A549 CHEMBL392 | IC50 | 5.52 | 5.52 | 3040.0 | 1 |
| Oxysterol-binding protein 1 CHEMBL4523203 | Ki | 5.49 | 5.49 | 3224.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| U-87 MG | IC50 | = | 67.0 | nM | 7.17 | Antiproliferative activity against human U-87 MG cells assessed as inhibition of... | 37795600 |
| A549 | IC50 | = | 3040.0 | nM | 5.52 | Antiproliferative activity against human A549 cells assessed as inhibition of ce... | 37795600 |
| Oxysterol-binding protein 1 | Ki | = | 3224.0 | nM | 5.49 | Inhibition of human C-terminal 6-His tagged OSBP ORD domain (401 to 807 residues... | 37795600 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 37795600 | 10.1021/acs.jmedchem.3c01298 | U-87 MG | 1 |
| 37795600 | 10.1021/acs.jmedchem.3c01298 | A549 | 1 |
| 37795600 | 10.1021/acs.jmedchem.3c01298 | Oxysterol-binding protein 1 | 1 |
Data from ChEMBL 36 via Core Engine