Compound Detail
CHEMBL224372
INFLEXARABDONIN I Enter ChEMBL ID:
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C=C1C(=O)[C@]23C[C@H]1C[C@H](O)[C@H]2[C@]1(C)CCC(=O)C(C)(C)[C@H]1[C@@H](O)C3
Basic Information
| ChEMBL ID | CHEMBL224372 |
| Name | INFLEXARABDONIN I |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ONIKMXSBGJJNBQ-ATEWWHSOSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
332.4
MW (Da)
2.28
ALogP
4
HBA
2
HBD
74.6
PSA (Ų)
0.67
QED
0
Ro5 Violations
0
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 5.94
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| RAW264.7 CHEMBL612557 | IC50 | 5.94 | 5.925 | 1150.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| RAW264.7 | IC50 | = | 1150.0 | nM | 5.94 | Inhibition of NF-kappaB activation in LPS-stimulated RAW264.7 cells after 24 hrs | 17338565 |
| RAW264.7 | IC50 | = | 1240.0 | nM | 5.91 | 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