Compound Detail

CHEMBL5404231

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C[C@@H]1CCC2[C@@H](C)[C@@H](OCCN(CCO[C@H]3O[C@@H]4O[C@@]5(C)CCC6[C@H](C)CCC([C@H]3C)[C@]64OO5)C(=O)CCCCCCCCNc3cccc4c3C(=O)N(C3CCC(=O)NC3=O)C4=O)O[C@@H]3O[C@@]4(C)CCC1[C@@]23OO4

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL5404231
Phase	Preclinical
Structure Type	MOL
InChI Key	ZPCFWCMHFYPZJM-YSMFDJBASA-N

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

Molecular Properties

1049.3

MW (Da)

Drug Information

Availability	Unknown
Chirality	Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula	C56H80N4O15
MW	1049.27

Activity Summary

IC50 3 meas. best 7.14

Target Activity Profile

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
RS4-11 CHEMBL2366159	IC50	7.14	7.14	72.4	1
RPMI-8226 CHEMBL614882	IC50	6.49	6.49	321.5	1
U-266 CHEMBL2366315	IC50	6.39	6.39	407.3	1

Activity Data Samples

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
RS4-11	IC50	=	72.4	nM	7.14	Antiproliferative activity against human RS4-11 cells assessed as cell growth in...	37552639
RPMI-8226	IC50	=	321.5	nM	6.49	Antiproliferative activity against human RPMI-8226 cells assessed as cell growth...	37552639
U-266	IC50	=	407.3	nM	6.39	Antiproliferative activity against human U266B1 cells assessed as cell growth in...	37552639

Literature References

PubMed	DOI	Target Context	# Activities
37552639	10.1021/acs.jmedchem.3c00824	RS4-11	1
37552639	10.1021/acs.jmedchem.3c00824	RPMI-8226	1
37552639	10.1021/acs.jmedchem.3c00824	U-266	1

Data from ChEMBL 36 via Core Engine