Compound Detail
CHEMBL559796
KADSURIN 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
COc1cc2c(c(OC)c1OC)-c1c(cc3c(c1OC)OCO3)[C@H](OC(C)=O)[C@H](C)[C@H](C)C2
Basic Information
| ChEMBL ID | CHEMBL559796 |
| Name | KADSURIN |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QUGMSTJBNZWXQS-SQHYZVFZSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
7
Publications
0
Known Names
Molecular Properties
458.5
MW (Da)
4.55
ALogP
8
HBA
0
HBD
81.7
PSA (Ų)
0.60
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 4.1
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Human immunodeficiency virus 1 CHEMBL378 | EC50 | 4.1 | 4.1 | 79100.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Human immunodeficiency virus 1 | EC50 | = | 79100.0 | nM | 4.1 | Antiviral activity against HIV1 3B in human C8166 cells assessed as inhibition o... | 19413342 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 22329624 | 10.1021/np200937h | PC-12 | 8 |
| 12350139 | 10.1021/np0105127 | Unchecked | 4 |
| 21381710 | 10.1021/np1009288 | SH-SY5Y | 4 |
| 12350139 | 10.1021/np0105127 | Raji | 1 |
| 19413342 | 10.1021/np900123z | Human immunodeficiency virus 1 | 1 |
| 19413342 | 10.1021/np900123z | Unchecked | 1 |
| 19413342 | 10.1021/np900123z | C8166 | 1 |
Data from ChEMBL 36 via Core Engine