Compound Detail
CHEMBL390551
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)[C@H]2CC[C@@]34CC5[C@H](C[C@H]3[C@]2(C)CC[C@@H]1O)[C@]5(C)C4
Basic Information
| ChEMBL ID | CHEMBL390551 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JHYUVBXKRVZLON-ZQOAZQHUSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
288.5
MW (Da)
4.64
ALogP
1
HBA
1
HBD
20.2
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 4.6
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| HeLa CHEMBL399 | IC50 | 4.6 | 4.6 | 25300.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| HeLa | IC50 | = | 25300.0 | nM | 4.6 | Cytotoxicity against human HeLa cells by MTT method | 17547457 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 17547457 | 10.1021/np0603976 | Aorta | 2 |
| 17547457 | 10.1021/np0603976 | HeLa | 1 |
Data from ChEMBL 36 via Core Engine