Compound Detail

CHEMBL3237619

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Free Research Context This compound will appear in recent viewed items on the research home for this browser.

CC(=O)N[C@H]1[C@H](O[C@H]2[C@H](O)[C@@H](O)[C@H](O[C@H]3[C@H](O)[C@@H](CO)O[C@@H](O[C@H]4[C@H](O)[C@@H](O)[C@H](O)O[C@@H]4C(=O)O)[C@@H]3NC(C)=O)O[C@@H]2C(=O)O)O[C@H](CO)[C@@H](O)[C@@H]1O

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL3237619
Phase	Preclinical
Structure Type	MOL
InChI Key	UUIOBSMRTZOIBC-WXFOSASWSA-N

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

Molecular Properties

776.6

MW (Da)

-9.28

ALogP

HBA

HBD

399.7

PSA (Å²)

0.09

QED

Ro5 Violations

Rot. Bonds

Drug Information

Molecule Type	Small molecule
Availability	Unknown
Chirality	Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula	C28H44N2O23
MW	776.65
Aromatic Rings	0
Heavy Atoms	53
NP-Likeness	1.04

Activity Summary

Kd 2 meas.

IC50 1 meas.

Literature References

PubMed	DOI	Target Context	# Activities
24606063	10.1021/jm5000276	CD44 antigen	3

Data from ChEMBL 36 via Core Engine