Compound Detail
CHEMBL4592818
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
CC[C@H](C)C(=O)O[C@@H]1[C@@H](C)[C@]2(O)[C@@H]3C=C(C)C(=O)[C@@H]3CC(CO)=C[C@H]2[C@@H]2C(C)(C)[C@]12OC(=O)C(C)C
Basic Information
| ChEMBL ID | CHEMBL4592818 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ISSDJBJDETYVQM-YPZRBVMSSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
502.6
MW (Da)
3.62
ALogP
7
HBA
2
HBD
110.1
PSA (Ų)
0.42
QED
1
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.43
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| A549 CHEMBL392 | IC50 | 5.43 | 5.43 | 3700.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| A549 | IC50 | = | 3700.0 | nM | 5.43 | Cytotoxicity against human A549 cells measured after 72 hrs by CCK8 assay | 31117522 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 31117522 | 10.1021/acs.jnatprod.9b00042 | A549 | 1 |
| 31117522 | 10.1021/acs.jnatprod.9b00042 | HL-60 | 1 |
Data from ChEMBL 36 via Core Engine