Compound Detail
CHEMBL478566
YADANZIOLIDE A Enter ChEMBL ID:
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CC1=CC(=O)[C@@H](O)[C@]2(C)[C@H]3[C@@H](O)[C@H](O)[C@]4(CO)OC[C@@]35[C@@H](C[C@@H]12)OC(=O)[C@H](O)[C@]54O
Basic Information
| ChEMBL ID | CHEMBL478566 |
| Name | YADANZIOLIDE A |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QXKKRGMRXXMDDP-MEBQBWJOSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
426.4
MW (Da)
-2.98
ALogP
10
HBA
6
HBD
174.0
PSA (Ų)
0.24
QED
1
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.26
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Tobacco mosaic virus CHEMBL613818 | IC50 | 5.26 | 5.26 | 5500.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Tobacco mosaic virus | IC50 | = | 5500.0 | nM | 5.26 | In vivo antiviral activity against Tobacco mosaic virus strain U1 (TMV) infected... | 20050684 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 20050684 | 10.1021/jf903434h | Tobacco mosaic virus | 7 |
| 17896817 | 10.1021/np070236h | Babesia gibsoni | 1 |
| 3298551 | 10.1021/np50049a007 | Plasmodium falciparum | 1 |
Data from ChEMBL 36 via Core Engine