Compound Detail
CHEMBL2442177
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](F)C(=O)[C@H]4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C
Basic Information
| ChEMBL ID | CHEMBL2442177 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | IEXKZNIXNJGEEY-YJJKLKRJSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
420.6
MW (Da)
6.60
ALogP
2
HBA
1
HBD
37.3
PSA (Ų)
0.54
QED
1
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 4.4
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Vero CHEMBL391 | IC50 | 4.4 | 4.4 | 40000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Vero | IC50 | = | 40000.0 | nM | 4.4 | Cytotoxicity against african green monkey Vero cells by tetrazolium dye reductio... | 24084159 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 24084159 | 10.1016/j.bmcl.2013.09.013 | Unchecked | 1 |
| 24084159 | 10.1016/j.bmcl.2013.09.013 | Vero | 1 |
| 24084159 | 10.1016/j.bmcl.2013.09.013 | Mycobacterium tuberculosis | 1 |
Data from ChEMBL 36 via Core Engine