Compound Detail
CHEMBL3099358
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/C1=C\[C@@H]2O[C@@H](O)[C@@]3(C)O[C@@]23CC/C(C)=C/CC[C@](C)(O)[C@@H](O)CC1
Basic Information
| ChEMBL ID | CHEMBL3099358 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | FCPVMRGLYDLISU-NJRUTKOHSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
352.5
MW (Da)
2.59
ALogP
5
HBA
3
HBD
82.5
PSA (Ų)
0.46
QED
0
Ro5 Violations
0
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.2
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 5.2 | 5.2 | 6300.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 6300.0 | nM | 5.2 | Inhibition of TNF-alpha-induced NF-kappaB transcriptional activation in human He... | 24314396 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 24314396 | 10.1016/j.bmcl.2013.11.033 | Unchecked | 2 |
| 24314396 | 10.1016/j.bmcl.2013.11.033 | HepG2 | 2 |
Data from ChEMBL 36 via Core Engine