Compound Detail
CHEMBL2235196
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CCC(=O)Oc1ccc(/C=C2\CCC/C(=C\c3ccc(OC(=O)CC)c(OC)c3)C2=O)cc1OC
Basic Information
| ChEMBL ID | CHEMBL2235196 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XIUUMSYTAUPTLE-OZNQKUEASA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
478.5
MW (Da)
5.55
ALogP
7
HBA
0
HBD
88.1
PSA (Ų)
0.28
QED
1
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.1
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| RAW264.7 CHEMBL612557 | IC50 | 5.1 | 5.1 | 8020.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| RAW264.7 | IC50 | = | 8020.0 | nM | 5.1 | Anti-inflammatory activity in Mus musculus (mouse) RAW264.7 cells assessed as in... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 27829519 | 10.1016/j.ejmech.2016.10.066 | Fibroblast growth factor receptor 1 | 2 |
| - | 10.1007/s00044-010-9521-0 | NON-PROTEIN TARGET | 1 |
| - | 10.1007/s00044-010-9521-0 | RAW264.7 | 1 |
Data from ChEMBL 36 via Core Engine