Compound Detail
CHEMBL525084
SANGGENON O Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
CC(C)=CC[C@@]12Oc3cc(O)c([C@H]4C=C(C)C[C@H](c5ccc(O)cc5O)[C@H]4C(=O)c4ccc(O)cc4O)c(O)c3C(=O)[C@]1(O)Oc1cc(O)ccc12
Basic Information
| ChEMBL ID | CHEMBL525084 |
| Name | SANGGENON O |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XETHJOZXBVWLLM-HCAFVXMDSA-N |
5
Targets
5
Activities
1
Assay Types
0
PK Parameters
11
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 5 meas. best 5.99
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Hypoxia-inducible factor 1-alpha CHEMBL4261 | IC50 | 5.99 | 5.99 | 1030.0 | 1 |
| Hep 3B2 CHEMBL4296437 | IC50 | 5.68 | 5.68 | 2080.0 | 1 |
| Replicase polyprotein 1ab CHEMBL4523582 | IC50 | 5.17 | 5.17 | 6700.0 | 1 |
| SARS-CoV-2 CHEMBL4303835 | IC50 | 5.1 | 5.1 | 8000.0 | 1 |
| Hypoxia inducible factors; HIF-1-alpha, HIF-2-alpha CHEMBL2221345 | IC50 | 5.06 | 5.06 | 8750.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Hypoxia-inducible factor 1-alpha | IC50 | = | 1030.0 | nM | 5.99 | Inhibition of hypoxia-induced HIF1alpha protein accumulation in human Hep3B cell... | 19072214 |
| Hep 3B2 | IC50 | = | 2080.0 | nM | 5.68 | Inhibition of hypoxia-induced VEGF protein secretion in human Hep3B cells after ... | 19072214 |
| Replicase polyprotein 1ab | IC50 | = | 6700.0 | nM | 5.17 | Inhibition of 6his/TEV-fused GST tagged SARS-CoV-2 MPro (1 to 306 residues) expr... | 36651644 |
| SARS-CoV-2 | IC50 | = | 8000.0 | nM | 5.1 | Antiviral activity against SARS-CoV-2 FFM7/MT358643 infected in human Calu-3 cel... | 36651644 |
| Hypoxia inducible factors; HIF-1-alpha, HIF-2-alpha | IC50 | = | 8750.0 | nM | 5.06 | Inhibition of hypoxia-induced HIF1 activation in human Hep3B cells by pGL3-HRE-l... | 19072214 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 36651644 | 10.1021/acs.jnatprod.2c00843 | Replicase polyprotein 1ab | 3 |
| 11429996 | 10.1021/np000317c | ADMET | 2 |
| 11429996 | 10.1021/np000317c | HSC-2 | 1 |
| 11429996 | 10.1021/np000317c | NON-PROTEIN TARGET | 1 |
| 19072214 | 10.1021/np800491u | Hypoxia-inducible factor 1-alpha | 1 |
| 19072214 | 10.1021/np800491u | Hep 3B2 | 1 |
| 19072214 | 10.1021/np800491u | Hypoxia inducible factors; HIF-1-alpha, HIF-2-alpha | 1 |
| 19072214 | 10.1021/np800491u | ADMET | 1 |
| 36651644 | 10.1021/acs.jnatprod.2c00843 | SARS-CoV-2 | 1 |
| 36651644 | 10.1021/acs.jnatprod.2c00843 | Calu-3 | 1 |
| 36651644 | 10.1021/acs.jnatprod.2c00843 | ADMET | 1 |
Data from ChEMBL 36 via Core Engine