Compound Detail
CHEMBL208908
SCIADOPITISIN 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
COc1ccc(-c2cc(=O)c3c(O)cc(O)c(-c4cc(-c5cc(=O)c6c(O)cc(OC)cc6o5)ccc4OC)c3o2)cc1
Basic Information
| ChEMBL ID | CHEMBL208908 |
| Name | SCIADOPITISIN |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YCXRBCHEOFVYEN-UHFFFAOYSA-N |
4
Targets
5
Activities
3
Assay Types
0
PK Parameters
11
Publications
0
Known Names
Molecular Properties
580.5
MW (Da)
6.04
ALogP
10
HBA
3
HBD
148.8
PSA (Ų)
0.21
QED
2
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 5.09
EC50 1 meas. best 5.01
Ki 1 meas. best 4.45
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Leishmania donovani CHEMBL367 | IC50 | 5.09 | 5.09 | 8200.0 | 1 |
| NON-PROTEIN TARGET CHEMBL3879801 | EC50 | 5.01 | 5.01 | 9840.0 | 1 |
| Replicase polyprotein 1ab CHEMBL5118 | Ki | 4.45 | 4.45 | 35600.0 | 1 |
| Replicase polyprotein 1ab CHEMBL5118 | IC50 | 4.42 | 4.42 | 38400.0 | 1 |
| Protein tyrosine phosphatase type IVA 3 CHEMBL4162 | IC50 | 4.33 | 4.33 | 46200.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Leishmania donovani | IC50 | = | 8200.0 | nM | 5.09 | Antimicrobial activity against axenically grown Leishmania donovani amastigotes | 22989363 |
| NON-PROTEIN TARGET | EC50 | = | 9840.0 | nM | 5.01 | Neuroprotective activity against 0.1 uM amyloid beta 42-induced toxicity in rat ... | 26004578 |
| Replicase polyprotein 1ab | Ki | = | 35600.0 | nM | 4.45 | Non-competitive inhibition of SARS coronavirus 3C-like protease by Dixon plot an... | 20934345 |
| Replicase polyprotein 1ab | IC50 | = | 38400.0 | nM | 4.42 | Inhibition of SARS coronavirus 3C-like protease after 60 mins by FRET assay | 20934345 |
| Protein tyrosine phosphatase type IVA 3 | IC50 | = | 46200.0 | nM | 4.33 | Inhibition of human brain PRL-3 (1 to 168 residues) expressed in Escherichia col... | 33766767 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 16574412 | 10.1016/j.bmcl.2006.03.018 | Osteoblast | 5 |
| 26004578 | 10.1016/j.bmcl.2015.04.106 | NON-PROTEIN TARGET | 3 |
| 20934345 | 10.1016/j.bmc.2010.09.035 | Replicase polyprotein 1ab | 2 |
| 31138471 | 10.1016/j.bmcl.2019.05.020 | Amyloid-beta precursor protein | 2 |
| 3379415 | 10.1021/np50056a030 | Xanthine dehydrogenase/oxidase | 1 |
| 9834158 | 10.1021/np970569m | Unchecked | 1 |
| 8882428 | 10.1021/np960057s | Monocyte | 1 |
| 20218623 | 10.1021/jm9018756 | Osteoblast | 1 |
| 20598535 | 10.1016/j.bmcl.2010.06.021 | Beta-secretase 1 | 1 |
| 22989363 | 10.1021/jm301172v | Leishmania donovani | 1 |
| 33766767 | 10.1016/j.bmcl.2021.127981 | Protein tyrosine phosphatase type IVA 3 | 1 |
Data from ChEMBL 36 via Core Engine