Compound Detail
CHEMBL513752
KADSURANIN Enter ChEMBL ID:
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Basic Information
| ChEMBL ID | CHEMBL513752 |
| Name | KADSURANIN |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | RTZKSTLPRTWFEV-QWHCGFSZSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
400.5
MW (Da)
4.49
ALogP
6
HBA
0
HBD
55.4
PSA (Ų)
0.75
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 7.09
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Glycogen synthase kinase-3 beta CHEMBL262 | IC50 | 7.09 | 7.09 | 81.0 | 1 |
| Human immunodeficiency virus CHEMBL613758 | IC50 | 5.7 | 5.7 | 2000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Glycogen synthase kinase-3 beta | IC50 | = | 81.0 | nM | 7.09 | Inhibition of human recombinant GSK3-beta | 35390715 |
| Human immunodeficiency virus | IC50 | = | 2000.0 | nM | 5.7 | Antiviral activity against HIV | 9834179 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 25302569 | 10.1021/np500521v | Unchecked | 4 |
| - | 10.6019/CHEMBL4808148 | Histone deacetylase 6 | 2 |
| 14987069 | 10.1021/np030373o | Human immunodeficiency virus | 1 |
| 9834179 | 10.1021/np980136z | Human immunodeficiency virus | 1 |
| 25302569 | 10.1021/np500521v | NON-PROTEIN TARGET | 1 |
| 35390715 | 10.1016/j.ejmech.2022.114301 | Glycogen synthase kinase-3 beta | 1 |
Data from ChEMBL 36 via Core Engine