Compound Detail

CHEMBL2367704

Yadanzioside A

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COC(=O)[C@]12OC[C@]34[C@H]([C@@H](O)[C@@H]1O)[C@@]1(C)C=C(O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)C(=O)[C@@H](C)[C@@H]1C[C@H]3OC(=O)[C@H](OC(=O)CC(C)C)[C@@H]24

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL2367704
Name	Yadanzioside A
Phase	Preclinical
Structure Type	MOL
InChI Key	QDQJWSSPAMZRIA-AIWMZPBQSA-N

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

Molecular Properties

684.7

MW (Da)

-2.29

ALogP

HBA

HBD

245.0

PSA (Å²)

0.12

QED

Ro5 Violations

Rot. Bonds

Drug Information

Molecule Type	Small molecule
Availability	Unknown
Chirality	Unknown

Flags

Natural Product First in Class Prodrug

Extended Properties

Molecular Formula	C32H44O16
MW	684.69
Aromatic Rings	0
Heavy Atoms	48
NP-Likeness	3.15

Activity Summary

EC50 1 meas.

IC50 1 meas.

Literature References

PubMed	DOI	Target Context	# Activities
-	10.1016/0960-894X(96)00096-0	H9	1
-	10.1016/0960-894X(96)00096-0	Human immunodeficiency virus 1	1
-	10.1016/0960-894X(96)00096-0	ADMET	1

Data from ChEMBL 36 via Core Engine