Compound Detail
CHEMBL500644
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(=O)O[C@H]1CC[C@]2(C)[C@H]3CC[C@]4(C)[C@@H]([C@H](C)CCCC(C)C)CC[C@H]4[C@@H]3C[C@H]3O[C@]32[C@H]1O
Basic Information
| ChEMBL ID | CHEMBL500644 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | CQYYHPXGHNTJHL-DYIJDNIISA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
460.7
MW (Da)
6.14
ALogP
4
HBA
1
HBD
59.1
PSA (Ų)
0.38
QED
1
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 4.55
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| HT-29 CHEMBL384 | IC50 | 4.55 | 4.55 | 28200.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| HT-29 | IC50 | = | 28200.0 | nM | 4.55 | Cytotoxicity against human HT-29 cells after 48 hrs by Alamar Blue assay | 19473028 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 19473028 | 10.1021/jm9003973 | HT-29 | 1 |
Data from ChEMBL 36 via Core Engine