Compound Detail
CHEMBL496408
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(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3[C@@H]4O[C@@]45C[C@@H](O)CC[C@]5(C)[C@H]3CC[C@]12C
Basic Information
| ChEMBL ID | CHEMBL496408 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DKTHWAQMRIGOKL-XJIAAGKMSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
388.6
MW (Da)
6.21
ALogP
2
HBA
1
HBD
32.8
PSA (Ų)
0.57
QED
1
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 4.39
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| HT-29 CHEMBL384 | IC50 | 4.39 | 4.39 | 40900.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| HT-29 | IC50 | = | 40900.0 | nM | 4.39 | 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