Compound Detail
CHEMBL1797232
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C/C=C(\C)C(=O)C[C@H]1C2=COC(/C=C/[C@H](C)[C@@H](C)O)=CC2=C(Cl)C(=O)[C@@]1(C)O
Basic Information
| ChEMBL ID | CHEMBL1797232 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BYFBAJVBSPNIFS-FLPRNSHASA-N |
2
Targets
7
Activities
1
Assay Types
0
PK Parameters
7
Publications
0
Known Names
Molecular Properties
406.9
MW (Da)
3.73
ALogP
5
HBA
2
HBD
83.8
PSA (Ų)
0.66
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 7 meas. best 6.1
Target Activity Profile
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| RAW264.7 | IC50 | = | 800.0 | nM | 6.1 | Inhibition of nitric oxide production in LPS-stimulated mouse RAW264.7 cells pre... | 26343828 |
| Unchecked | IC50 | = | 900.0 | nM | 6.05 | Inhibition of TNFalpha-induced NF-kappaB activity (unknown origin) transfected i... | 26343828 |
| RAW264.7 | IC50 | = | 6800.0 | nM | 5.17 | Cytotoxicity against LPS-stimulated mouse RAW264.7 cells assessed as cell surviv... | 26343828 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 26343828 | 10.1016/j.bmcl.2015.08.063 | RAW264.7 | 4 |
| 26343828 | 10.1016/j.bmcl.2015.08.063 | Unchecked | 2 |
| 21640594 | 10.1016/j.bmc.2011.05.008 | P388 | 1 |
| 21640594 | 10.1016/j.bmc.2011.05.008 | HL-60 | 1 |
| 21640594 | 10.1016/j.bmc.2011.05.008 | L1210 | 1 |
| 21640594 | 10.1016/j.bmc.2011.05.008 | KB | 1 |
| 26343828 | 10.1016/j.bmcl.2015.08.063 | HEK293 | 1 |
Data from ChEMBL 36 via Core Engine