Compound Detail
CHEMBL225488
INFLEXARABDONIN G 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=C1C(=O)[C@@]23CC[C@@H]4C(C)(C)[C@@H](OC(C)=O)C[C@H](O)[C@@]4(C)[C@@H]2[C@@H](OC(C)=O)C[C@@H]1C3
Basic Information
| ChEMBL ID | CHEMBL225488 |
| Name | INFLEXARABDONIN G |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BWMMHCUVAKMATG-LRTRCRMZSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
418.5
MW (Da)
3.21
ALogP
6
HBA
1
HBD
89.9
PSA (Ų)
0.55
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 6.62
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| RAW264.7 CHEMBL612557 | IC50 | 6.62 | 6.47 | 240.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| RAW264.7 | IC50 | = | 240.0 | nM | 6.62 | Inhibition of NF-kappaB activation in LPS-stimulated RAW264.7 cells after 24 hrs | 17338565 |
| RAW264.7 | IC50 | = | 480.0 | nM | 6.32 | Inhibition of NO production in LPS-stimulated RAW264.7 cells after 24 hrs | 17338565 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 17338565 | 10.1021/np060638+ | RAW264.7 | 2 |
Data from ChEMBL 36 via Core Engine