Compound Detail

CHEMBL5289777

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C=C(F)C(=O)N1CCN(c2nc(O[C@@H]3CCCN3CCCOCCC(=O)N[C@H](C(=O)N3C[C@H](O)C[C@H]3C(=O)NCc3ccc(-c4scnc4C)cc3)C(C)(C)C)nc3c2CCN(c2cccc4cccc(Cl)c24)C3)C[C@H]1CC#N

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL5289777
Phase	Preclinical
Structure Type	MOL
InChI Key	FTSNKXXRMZUQSC-AUYKJQTJSA-N

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

Molecular Properties

1118.8

MW (Da)

Drug Information

Availability	Unknown
Chirality	Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula	C58H69ClFN11O7S
MW	1118.78

Activity Summary

EC50 5 meas. best 6.6

Target Activity Profile

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
von Hippel-Lindau disease tumor suppressor/KRAS CHEMBL5169273	EC50	6.6	6.6	250.0	5

Activity Data Samples

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
von Hippel-Lindau disease tumor suppressor/KRAS	EC50	=	250.0	nM	6.6	Protac activity at VHL/KRAS G12C mutant in human NCI-H2030 cells assessed as deg...	36274273
von Hippel-Lindau disease tumor suppressor/KRAS	EC50	=	250.0	nM	6.6	Protac activity at VHL/KRAS G12C mutant in human MIA PaCa-2 cells assessed as de...	36274273
von Hippel-Lindau disease tumor suppressor/KRAS	EC50	=	250.0	nM	6.6	Protac activity at VHL/KRAS G12C mutant in human SW1573 cells assessed as degrad...	36274273
von Hippel-Lindau disease tumor suppressor/KRAS	EC50	=	250.0	nM	6.6	Protac activity at VHL/KRAS G12C mutant in human NCI-H23 cells assessed as degra...	36274273
von Hippel-Lindau disease tumor suppressor/KRAS	EC50	=	250.0	nM	6.6	Protac activity at VHL/KRAS G12C mutant in human NCI-H358 cells assessed as degr...	36274273

Literature References

PubMed	DOI	Target Context	# Activities
36274273	10.1016/j.ejmech.2022.114838	von Hippel-Lindau disease tumor suppressor/KRAS	5

Data from ChEMBL 36 via Core Engine