Compound Detail
CHEMBL375896
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@@]12CC[C@H](O)[C@](C)(CO)[C@H]1CC[C@@]13CC4[C@H](C[C@H]12)[C@]4(C)C3
Basic Information
| ChEMBL ID | CHEMBL375896 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | PIRXBCDSMORUTK-DEQNQCBWSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
304.5
MW (Da)
3.61
ALogP
2
HBA
2
HBD
40.5
PSA (Ų)
0.78
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 4.19
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| HeLa CHEMBL399 | IC50 | 4.19 | 4.19 | 64000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| HeLa | IC50 | = | 64000.0 | nM | 4.19 | Cytotoxicity against human HeLa cells by MTT method | 17547457 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 17547457 | 10.1021/np0603976 | HeLa | 1 |
| 17547457 | 10.1021/np0603976 | Aorta | 1 |
Data from ChEMBL 36 via Core Engine