Compound Detail
CHEMBL571615
KADSURENIN C Enter ChEMBL ID:
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C=CCC1=C[C@@]2(OC)[C@H](C)[C@@H](c3ccc(OC)c(OC)c3)[C@H](C1=O)[C@@H]2O
Basic Information
| ChEMBL ID | CHEMBL571615 |
| Name | KADSURENIN C |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YYEUHNBQISBESB-LOPMHCFQSA-N |
2
Targets
5
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
358.4
MW (Da)
2.88
ALogP
5
HBA
1
HBD
65.0
PSA (Ų)
0.79
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 5 meas. best 5.63
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| NON-PROTEIN TARGET CHEMBL3879801 | IC50 | 5.63 | 4.945 | 2330.0 | 2 |
| Prostaglandin G/H synthase 1 CHEMBL2949 | IC50 | 4.41 | 4.41 | 38700.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| NON-PROTEIN TARGET | IC50 | = | 2330.0 | nM | 5.63 | Antiplatelet activity in rabbit platelets assessed as inhibition of platelet act... | 19880317 |
| Prostaglandin G/H synthase 1 | IC50 | = | 38700.0 | nM | 4.41 | Inhibition of ovine COX-1 assessed as inhibition of transformation of AA to PGH2... | 19880317 |
| NON-PROTEIN TARGET | IC50 | = | 54600.0 | nM | 4.26 | Antiplatelet activity in rabbit platelets assessed as inhibition of arachidonic ... | 19880317 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 19880317 | 10.1016/j.bmcl.2009.10.069 | NON-PROTEIN TARGET | 3 |
| 19880317 | 10.1016/j.bmcl.2009.10.069 | Unchecked | 2 |
| 19880317 | 10.1016/j.bmcl.2009.10.069 | Prostaglandin G/H synthase 1 | 1 |
| 19880317 | 10.1016/j.bmcl.2009.10.069 | Prostaglandin G/H synthase 2 | 1 |
Data from ChEMBL 36 via Core Engine