Compound Detail
CHEMBL269359
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
CCCc1cc(=O)oc2c3c(c4c(c12)OC(C)(C)C=C4)O[C@H](C(C)C)[C@@H](C)[C@H]3O
Basic Information
| ChEMBL ID | CHEMBL269359 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JLMSPBCWZNHEJD-CJMONDIMSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
398.5
MW (Da)
5.02
ALogP
5
HBA
1
HBD
68.9
PSA (Ų)
0.74
QED
1
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.19
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| CEM-SS CHEMBL614548 | IC50 | 5.19 | 5.19 | 6500.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| CEM-SS | IC50 | = | 6500.0 | nM | 5.19 | Antiviral activity against HIV-1 determined by concentration which resulted in c... | 9083491 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 9083491 | 10.1021/jm960355m | CEM-SS | 2 |
Data from ChEMBL 36 via Core Engine