Compound Detail
CHEMBL253179
PSEUROTIN A 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=C\[C@H](O)[C@H](O)C1=C(C)C(=O)[C@]2(O1)C(=O)N[C@@](OC)(C(=O)c1ccccc1)[C@@H]2O
Basic Information
| ChEMBL ID | CHEMBL253179 |
| Name | PSEUROTIN A |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | SLYDIPAXCVVRNY-UOWMTANKSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
20
Publications
0
Known Names
Molecular Properties
431.4
MW (Da)
0.00
ALogP
8
HBA
4
HBD
142.4
PSA (Ų)
0.27
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 5.44
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 5.44 | 5.44 | 3600.0 | 1 |
| K562 CHEMBL385 | IC50 | 4.39 | 4.39 | 41000.0 | 1 |
| Human alphaherpesvirus 1 CHEMBL377 | IC50 | 4.3 | 4.3 | 50000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 3600.0 | nM | 5.44 | Inhibition of IL4 and LPS-induced IgE production in BALB/c mouse spleen B cell a... | 19179074 |
| K562 | IC50 | = | 41000.0 | nM | 4.39 | Cytotoxicity against human K562 cells after 48 hrs by MTT assay | 19256529 |
| Human alphaherpesvirus 1 | IC50 | = | 50000.0 | nM | 4.3 | Antiviral activity against HSV1 F infected in african green monkey Vero cells as... | 12828470 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 27976895 | 10.1021/acs.jnatprod.6b00407 | RAW264.7 | 3 |
| 19179074 | 10.1016/j.bmcl.2009.01.029 | Lymphocyte | 2 |
| 19179074 | 10.1016/j.bmcl.2009.01.029 | ADMET | 2 |
| 17929896 | 10.1021/np070307c | Saccharomyces cerevisiae | 2 |
| 18505285 | 10.1021/np700737g | Bacillus subtilis | 1 |
| 30978020 | 10.1021/acs.jnatprod.8b01053 | Unchecked | 1 |
| 30978020 | 10.1021/acs.jnatprod.8b01053 | BMDM | 1 |
| 27976895 | 10.1021/acs.jnatprod.6b00407 | Unchecked | 1 |
| 22409377 | 10.1021/jf300146n | Artemia salina | 1 |
| 19256529 | 10.1021/np800700e | MCF7 | 1 |
| 19256529 | 10.1021/np800700e | K562 | 1 |
| 19256529 | 10.1021/np800700e | KB | 1 |
| 19256529 | 10.1021/np800700e | PC-12 | 1 |
| 18505285 | 10.1021/np700737g | Micrococcus luteus | 1 |
| 18505285 | 10.1021/np700737g | Escherichia coli | 1 |
| 12828470 | 10.1021/np020556v | Neospora caninum | 1 |
| 12828470 | 10.1021/np020556v | Eimeria tenella | 1 |
| 12828470 | 10.1021/np020556v | NON-PROTEIN TARGET | 1 |
| 12828470 | 10.1021/np020556v | Human alphaherpesvirus 1 | 1 |
| 19179074 | 10.1016/j.bmcl.2009.01.029 | K562 | 1 |
Data from ChEMBL 36 via Core Engine