Compound Detail
CHEMBL2376509
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C/C=C(/C)C(=O)O[C@H]1[C@@H](OC(C)=O)c2c(ccc3ccc(=O)oc23)OC1(C)C
Basic Information
| ChEMBL ID | CHEMBL2376509 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XGPBRZDOJDLKOT-NXIDYTHLSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
386.4
MW (Da)
3.45
ALogP
7
HBA
0
HBD
92.0
PSA (Ų)
0.45
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 4.56
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 4.56 | 4.56 | 27400.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 27400.0 | nM | 4.56 | Inhibition of mouse brain monoamine oxidase | 23517722 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 23517722 | 10.1016/j.bmc.2013.02.017 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine