Compound Detail
CHEMBL490125
SCHISANHENOL Enter ChEMBL ID:
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Basic Information
| ChEMBL ID | CHEMBL490125 |
| Name | SCHISANHENOL |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | FYSHYFPJBONYCQ-QWHCGFSZSA-N |
2
Targets
2
Activities
2
Assay Types
0
PK Parameters
8
Publications
0
Known Names
Molecular Properties
402.5
MW (Da)
4.47
ALogP
6
HBA
1
HBD
66.4
PSA (Ų)
0.80
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 5.24
IC50 1 meas. best 4.38
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Human immunodeficiency virus 1 CHEMBL378 | EC50 | 5.24 | 5.24 | 5700.0 | 1 |
| H9 CHEMBL614806 | IC50 | 4.38 | 4.38 | 42000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Human immunodeficiency virus 1 | EC50 | = | 5700.0 | nM | 5.24 | Antiviral activity against HIV1 3B in H9 cells after 4 days by p24-antigen ELISA | 17190445 |
| H9 | IC50 | = | 42000.0 | nM | 4.38 | Cytotoxicity against human H9 cells after 4 days | 17190445 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 19640714 | 10.1016/j.bmcl.2009.07.078 | ADMET | 3 |
| 19673515 | 10.1021/np9003678 | PBMC | 3 |
| 19640714 | 10.1016/j.bmcl.2009.07.078 | Hepatitis B virus | 2 |
| 17190445 | 10.1021/np060239e | Human immunodeficiency virus 1 | 1 |
| 17190445 | 10.1021/np060239e | H9 | 1 |
| 17190445 | 10.1021/np060239e | ADMET | 1 |
| 23265871 | 10.1016/j.bmcl.2012.11.040 | Unchecked | 1 |
| 24602900 | 10.1016/j.bmcl.2014.02.020 | L02 | 1 |
Data from ChEMBL 36 via Core Engine