Compound Detail
CHEMBL113074
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COC[C@H]1O[C@@H](Oc2cc(/C=C/c3cc(OC)cc(OC)c3)ccc2OC)[C@H](OC)[C@@H](OC)[C@@H]1OC
Basic Information
| ChEMBL ID | CHEMBL113074 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | SUCVNWYOBRSXKG-XWKSYUBDSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
504.6
MW (Da)
3.68
ALogP
9
HBA
0
HBD
83.1
PSA (Ų)
0.40
QED
1
Ro5 Violations
12
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 4.57
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Mus musculus CHEMBL375 | IC50 | 4.57 | 4.57 | 27000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Mus musculus | IC50 | = | 27000.0 | nM | 4.57 | Inhibitory activity against nitric oxide production in LPS-activated mouse perit... | 10714491 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 10714491 | 10.1016/s0960-894x(99)00702-7 | Mus musculus | 1 |
Data from ChEMBL 36 via Core Engine