Compound Detail
CHEMBL490332
DIHYDROSCHIZANDRONIC ACID Enter ChEMBL ID:
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CC(CCC[C@@H](C)[C@H]1CC[C@@]2(C)[C@@H]3CC[C@H]4C(C)(C)C(=O)CC[C@@]45C[C@@]35CC[C@]12C)C(=O)O
Basic Information
| ChEMBL ID | CHEMBL490332 |
| Name | DIHYDROSCHIZANDRONIC ACID |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | IIUXRYBFJIQPEV-KABYOLABSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
456.7
MW (Da)
7.52
ALogP
2
HBA
1
HBD
54.4
PSA (Ų)
0.45
QED
1
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 4.36
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Human immunodeficiency virus 1 CHEMBL378 | IC50 | 4.36 | 4.36 | 43900.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Human immunodeficiency virus 1 | IC50 | = | 43900.0 | nM | 4.36 | Antiviral activity against HIV1 3B infected in human HOG.R5 assessed as inhibiti... | 12608862 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 12608862 | 10.1021/np020379y | ADMET | 2 |
| 12608862 | 10.1021/np020379y | Human immunodeficiency virus 1 | 2 |
Data from ChEMBL 36 via Core Engine