Compound Detail

CHEMBL449323

MATESAPONIN 1

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C[C@H]1[C@H](C)CC[C@]2(C(=O)O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O[C@@H]6OC[C@H](O)[C@H](O[C@@H]7O[C@H](CO)[C@@H](O)[C@H](O)[C@H]7O)[C@H]6O)C(C)(C)[C@@H]5CC[C@]43C)[C@H]12

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL449323
Name	MATESAPONIN 1
Phase	Preclinical
Structure Type	MOL
InChI Key	CUDUIWIKODVGCF-SMUPBMBFSA-N

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

Molecular Properties

913.1

MW (Da)

0.64

ALogP

HBA

HBD

274.8

PSA (Å²)

0.09

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	C47H76O17
MW	913.11
Aromatic Rings	0
Heavy Atoms	64
NP-Likeness	2.38

Literature References

PubMed	DOI	Target Context	# Activities
15497942	10.1021/np040059+	Trypanosoma cruzi	1
15497942	10.1021/np040059+	Trypanosoma brucei	1

Data from ChEMBL 36 via Core Engine