Compound Detail

CHEMBL413915

LOTOIDOSIDE D

Enter ChEMBL ID:

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]2CC[C@]3(C)[C@H]4CC=C5[C@@H]6CC(C)(C)CC[C@]6(C(=O)O)CC[C@@]5(C)[C@]4(C)CC[C@H]3C2(C)C)O[C@H](CO)[C@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H]1O[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL413915
Name	LOTOIDOSIDE D
Phase	Preclinical
Structure Type	MOL
InChI Key	NHYOHVGVTJIEPF-GJPSEHEHSA-N

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

Molecular Properties

984.2

MW (Da)

0.85

ALogP

HBA

HBD

303.9

PSA (Å²)

0.10

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	C50H81NO18
MW	984.19
Aromatic Rings	0
Heavy Atoms	69
NP-Likeness	2.10

Activity Summary

IC50 2 meas. best 6.44

Target Activity Profile

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
WEHI-164 CHEMBL614227	IC50	6.44	6.44	360.0	1
HeLa CHEMBL399	IC50	5.56	5.56	2740.0	1

Activity Data Samples

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
WEHI-164	IC50	=	360.0	nM	6.44	Antitumor activity against WEHI 164 cell	16765595
HeLa	IC50	=	2740.0	nM	5.56	Antitumor activity against HeLa cell line by MTT assay	16765595

Literature References

PubMed	DOI	Target Context	# Activities
16765595	10.1016/j.bmcl.2006.05.086	HeLa	5
16765595	10.1016/j.bmcl.2006.05.086	WEHI-164	1

Data from ChEMBL 36 via Core Engine