Compound Detail
CHEMBL2093993
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]1CC[C@H]2[C@@H](C)C(OC3O[C@@H]4O[C@]5(C)CC[C@H]6[C@H](C)CC[C@@H]([C@H]3C)[C@@]46O5)O[C@@H]3O[C@]4(C)CC[C@@H]1[C@]32O4
Basic Information
| ChEMBL ID | CHEMBL2093993 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KQEOZJHTBAWJLC-ZOSTWXESSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
518.7
MW (Da)
5.56
ALogP
7
HBA
0
HBD
64.6
PSA (Ų)
0.47
QED
2
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 4.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| NON-PROTEIN TARGET CHEMBL3879801 | IC50 | 4.0 | 4.0 | 99800.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| NON-PROTEIN TARGET | IC50 | = | 99800.0 | nM | 4.0 | Cytotoxicity against mouse EN2 cells after 72 hrs by MTT assay | 9134741 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 9134741 | 10.1021/np9605495 | NON-PROTEIN TARGET | 1 |
Data from ChEMBL 36 via Core Engine