Compound Detail

CHEMBL5266174

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Cc1ncsc1-c1ccc(CNC(=O)[C@H]2C[C@H](O)CN2C(=O)[C@H](NC(=O)COCC(C)(COCCOCCOCCNC(=O)C[C@H]2N=C(c3ccc(Cl)cc3)c3c(sc(C)c3C)-n3c(C)nnc32)COCCOCCOCCNC(=O)C[C@H]2N=C(c3ccc(Cl)cc3)c3c(sc(C)c3C)-n3c(C)nnc32)C(C)(C)C)cc1

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL5266174
Phase	Preclinical
Structure Type	MOL
InChI Key	RARNTROXRCXFHV-CNTQVIGYSA-N

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

Molecular Properties

1618.8

MW (Da)

Drug Information

Availability	Unknown
Chirality	Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula	C79H98Cl2N14O13S3
MW	1618.84

Activity Summary

EC50 3 meas. best 9.15

IC50 1 meas. best 8.96

Target Activity Profile

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
von Hippel-Lindau disease tumor suppressor/Bromodomain-containing protein 4 CHEMBL4296140	EC50	9.15	9.15	0.7	1
von Hippel-Lindau disease tumor suppressor/Bromodomain-containing protein 2 CHEMBL4296143	EC50	8.96	8.96	1.1	1
HEK293 CHEMBL614818	IC50	8.96	8.96	1.1	1
von Hippel-Lindau disease tumor suppressor/Bromodomain-containing protein 3 CHEMBL4296144	EC50	8.48	8.48	3.3	1

Activity Data Samples

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
von Hippel-Lindau disease tumor suppressor/Bromodomain-containing protein 4	EC50	=	0.7	nM	9.15	Protac activity at VHL/BRD4 in HEK293 cells assessed as degradation of BRD4 incu...	36274273
von Hippel-Lindau disease tumor suppressor/Bromodomain-containing protein 2	EC50	=	1.1	nM	8.96	Protac activity at VHL/BRD2 in HEK293 cells assessed as degradation of BRD2 incu...	36274273
HEK293	IC50	=	1.1	nM	8.96	Cytotoxicity against HEK293 cells assessed as inhibition of cell growth	36274273
von Hippel-Lindau disease tumor suppressor/Bromodomain-containing protein 3	EC50	=	3.3	nM	8.48	Protac activity at VHL/BRD3 in HEK293 cells assessed as degradation of BRD3 incu...	36274273

Literature References

PubMed	DOI	Target Context	# Activities
36274273	10.1016/j.ejmech.2022.114838	HEK293	1
36274273	10.1016/j.ejmech.2022.114838	von Hippel-Lindau disease tumor suppressor/Bromodomain-containing protein 2	1
36274273	10.1016/j.ejmech.2022.114838	von Hippel-Lindau disease tumor suppressor/Bromodomain-containing protein 3	1
36274273	10.1016/j.ejmech.2022.114838	von Hippel-Lindau disease tumor suppressor/Bromodomain-containing protein 4	1

Data from ChEMBL 36 via Core Engine