Compound Detail
CHEMBL464610
SANGGENON D Enter ChEMBL ID:
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CC(C)=CCC12Oc3cc(O)ccc3C1(O)Oc1cc(O)c([C@H]3C=C(C)C[C@@H](c4ccc(O)cc4O)[C@@H]3C(=O)c3ccc(O)cc3O)c(O)c1C2=O
Basic Information
| ChEMBL ID | CHEMBL464610 |
| Name | SANGGENON D |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | SUOXGDJCEWTZIZ-HCEROAJISA-N |
3
Targets
4
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
708.7
MW (Da)
6.25
ALogP
12
HBA
8
HBD
214.4
PSA (Ų)
0.08
QED
4
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 4.36
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Platelet CHEMBL4296519 | IC50 | 4.36 | 4.34 | 43300.0 | 2 |
| Prostaglandin G/H synthase 1 CHEMBL221 | IC50 | 4.23 | 4.23 | 59000.0 | 1 |
| Prostaglandin G/H synthase 2 CHEMBL230 | IC50 | 4.14 | 4.14 | 73000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Platelet | IC50 | = | 43300.0 | nM | 4.36 | Inhibition of 12-hydroxy-5,8,10-heptadecatrienoic acid formation in Wistar King ... | 3097265 |
| Platelet | IC50 | = | 48300.0 | nM | 4.32 | Inhibition of thromboxane B2 formation in Wistar King platelets | 3097265 |
| Prostaglandin G/H synthase 1 | IC50 | = | 59000.0 | nM | 4.23 | Inhibition of COX1 | 16038536 |
| Prostaglandin G/H synthase 2 | IC50 | = | 73000.0 | nM | 4.14 | Inhibition of COX2 | 16038536 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 3097265 | 10.1021/np50046a013 | Platelet | 5 |
| 11429996 | 10.1021/np000317c | ADMET | 2 |
| 11429996 | 10.1021/np000317c | HSC-2 | 1 |
| 11429996 | 10.1021/np000317c | NON-PROTEIN TARGET | 1 |
| 16038536 | 10.1021/np049655u | Prostaglandin G/H synthase 1 | 1 |
| 16038536 | 10.1021/np049655u | Prostaglandin G/H synthase 2 | 1 |
Data from ChEMBL 36 via Core Engine