Compound Detail
CHEMBL1813582
FISCHEROSIDES B Enter ChEMBL ID:
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CC(=O)O[C@@]12C[C@@H](C)[C@@]3(O)[C@@H](C=C(CO[C@@H]4O[C@H](COC(=O)c5cc(O)c(O)c(O)c5)[C@@H](O)[C@H](O)[C@H]4O)C[C@]4(O)C(=O)C(C)=C[C@@H]34)[C@@H]1C2(C)C
Basic Information
| ChEMBL ID | CHEMBL1813582 |
| Name | FISCHEROSIDES B |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HILKKSGKHWLFAN-QWOHJRRRSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
704.7
MW (Da)
0.34
ALogP
15
HBA
8
HBD
250.0
PSA (Ų)
0.11
QED
3
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 7.16
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Human immunodeficiency virus 1 CHEMBL378 | EC50 | 7.16 | 7.16 | 70.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Human immunodeficiency virus 1 | EC50 | = | 70.0 | nM | 7.16 | Antiviral activity against Human immunodeficiency virus 1 infected in human C816... | 21534540 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 21534540 | 10.1021/np200058c | Human immunodeficiency virus 1 | 1 |
| 21534540 | 10.1021/np200058c | C8166 | 1 |
| 21534540 | 10.1021/np200058c | ADMET | 1 |
Data from ChEMBL 36 via Core Engine