Compound Detail
CHEMBL2368547
Sennoside 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
O=C(O)c1cc(O)c2c(c1)[C@H]([C@H]1c3cc(C(=O)O)cc(O)c3C(=O)c3c(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)cccc31)c1cccc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c1C2=O
Basic Information
| ChEMBL ID | CHEMBL2368547 |
| Name | Sennoside A |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | IPQVTOJGNYVQEO-KGFNBKMBSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
10
Publications
0
Known Names
Molecular Properties
862.8
MW (Da)
-1.10
ALogP
18
HBA
12
HBD
348.0
PSA (Ų)
0.10
QED
3
Ro5 Violations
9
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 5.8
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Replicase polyprotein 1ab CHEMBL4523582 | IC50 | 5.8 | 5.8 | 1590.0 | 1 |
| HepG2 CHEMBL395 | IC50 | 4.29 | 4.29 | 51600.0 | 1 |
| HCT-116 CHEMBL394 | IC50 | 4.17 | 4.17 | 68200.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Replicase polyprotein 1ab | IC50 | = | 1590.0 | nM | 5.8 | SARS-CoV-2 3CL-Pro protease inhibition IC50 determined by FRET kind of response ... | - |
| HepG2 | IC50 | = | 51600.0 | nM | 4.29 | Cytotoxicity against MDR1 Pgp overexpressing human HepG2 cells after 24 hrs by M... | 17949858 |
| HCT-116 | IC50 | = | 68200.0 | nM | 4.17 | Cytotoxicity against MDR1 Pgp under-expressing human HCT116 cells after 24 hrs b... | 17949858 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 11459643 | 10.1016/s0960-894x(01)00318-3 | Estrogen receptor | 6 |
| - | 10.6019/CHEMBL4495564 | Replicase polyprotein 1ab | 4 |
| 30852084 | 10.1016/j.bmcl.2019.02.028 | GroEL/GroES | 2 |
| - | 10.6019/CHEMBL4495565 | SARS-CoV-2 | 2 |
| 17949858 | 10.1016/j.ejmech.2007.08.009 | HCT-116 | 1 |
| 17949858 | 10.1016/j.ejmech.2007.08.009 | HepG2 | 1 |
| 23571415 | 10.1124/mol.112.084152 | Solute carrier organic anion transporter family member 1B1 | 1 |
| 23571415 | 10.1124/mol.112.084152 | Solute carrier organic anion transporter family member 1B3 | 1 |
| - | 10.21203/rs.3.rs-23951/v1 | SARS-CoV-2 | 1 |
| - | 10.6019/CHEMBL4495564 | Chymotrypsin | 1 |
Data from ChEMBL 36 via Core Engine