Compound Detail
CHEMBL494745
CHAETOMUGILIN D Enter ChEMBL ID:
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CC[C@H](C)/C=C/C1=CC2=C(Cl)C(=O)[C@@]3(C)O[C@]4(O)[C@H](C)[C@@H](C)OC(=O)[C@@H]4[C@H]3C2=CO1
Basic Information
| ChEMBL ID | CHEMBL494745 |
| Name | CHAETOMUGILIN D |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VFAOIGZBHFMFIU-XSKLMDGHSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
434.9
MW (Da)
3.75
ALogP
6
HBA
1
HBD
82.1
PSA (Ų)
0.68
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 4.55
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| RAW264.7 CHEMBL612557 | IC50 | 4.55 | 4.55 | 28100.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| RAW264.7 | IC50 | = | 28100.0 | nM | 4.55 | Inhibition of nitric oxide production in LPS-stimulated mouse RAW264.7 cells pre... | 26343828 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 26343828 | 10.1016/j.bmcl.2015.08.063 | RAW264.7 | 3 |
| 26343828 | 10.1016/j.bmcl.2015.08.063 | Unchecked | 2 |
| 19246197 | 10.1016/j.bmcl.2009.02.025 | Artemia salina | 1 |
| 26343828 | 10.1016/j.bmcl.2015.08.063 | HEK293 | 1 |
Data from ChEMBL 36 via Core Engine