Compound Detail
CHEMBL4210962
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C=CC[C@H]1C[C@]2(OC)C(=C(OC)C1=O)O[C@@H](c1cc(OC)c3c(c1)OCO3)[C@@H]2C
Basic Information
| ChEMBL ID | CHEMBL4210962 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | OZQZNUBIQFLRCD-FLOQHRSSSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
402.4
MW (Da)
3.54
ALogP
7
HBA
0
HBD
72.5
PSA (Ų)
0.67
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 6.41
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 6.41 | 6.41 | 390.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 390.0 | nM | 6.41 | Antagonist activity at rabbit PAF receptor assessed as inhibition of PAF-induced... | 30188730 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 30188730 | 10.1021/acs.jnatprod.8b00189 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine