Compound Detail

CHEMBL505295

IPOMOEASSIN C

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C/C=C(\C)C(=O)O[C@@H]1[C@@H](O)[C@@H]2O[C@H]3[C@H](O[C@@H](CCC)CCCCC[C@H](O)C(=O)CCC(=O)OC[C@@H](O2)[C@H]1OC(=O)/C=C/c1ccccc1)O[C@H](C)[C@H](OC(C)=O)[C@@H]3O

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL505295
Name	IPOMOEASSIN C
Phase	Preclinical
Structure Type	MOL
InChI Key	RTVXDHYKIASJTP-NXNWMAFXSA-N

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

Molecular Properties

818.9

MW (Da)

3.40

ALogP

HBA

HBD

219.9

PSA (Å²)

0.19

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	C42H58O16
MW	818.91
Aromatic Rings	1
Heavy Atoms	58
NP-Likeness	1.93

Activity Summary

IC50 3 meas. best 5.82

Target Activity Profile

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
HeLa CHEMBL399	IC50	5.82	5.82	1500.0	1
A2780 CHEMBL614004	IC50	5.54	5.54	2900.0	2

Activity Data Samples

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
HeLa	IC50	=	1500.0	nM	5.82	Cytotoxicity against human HeLa cells after 72 hrs	29291442
A2780	IC50	=	2900.0	nM	5.54	Cytotoxicity against human A2780 cells	15844934
A2780	IC50	=	2900.0	nM	5.54	Cytotoxicity against human A2780 cells after 72 hrs	29291442

Literature References

PubMed	DOI	Target Context	# Activities
15844934	10.1021/np049629w	A2780	1
29291442	10.1016/j.ejmech.2017.11.022	HeLa	1
29291442	10.1016/j.ejmech.2017.11.022	L929	1
29291442	10.1016/j.ejmech.2017.11.022	A2780	1

Data from ChEMBL 36 via Core Engine