Compound Detail
CHEMBL102221
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O=C(O)CCC/C=C\C[C@@H]1[C@@H](/C=C/C(O)CCc2ccccc2)[C@H](O)C[C@@H]1O
Basic Information
| ChEMBL ID | CHEMBL102221 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YFHHIZGZVLHBQZ-MZAPSQGSSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
388.5
MW (Da)
3.10
ALogP
4
HBA
4
HBD
98.0
PSA (Ų)
0.34
QED
0
Ro5 Violations
11
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 9.15
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Felis catus CHEMBL612670 | EC50 | 9.15 | 9.15 | 0.7 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Felis catus | EC50 | = | 0.71 | nM | 9.15 | Concentration giving half-maximal contraction of the cat iris sphincter muscle w... | 7830272 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 7830272 | 10.1021/jm00002a011 | Felis catus | 1 |
Data from ChEMBL 36 via Core Engine