Compound Detail

CHEMBL5280597

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Cc1ncsc1-c1ccc([C@H](C)NC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[C@@H](NC(=O)CCC(=O)NCCCCC(=O)Nc2cccc(Cc3c(C)c4ccc(Oc5ncccn5)cc4oc3=O)c2F)C(C)(C)C)cc1

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL5280597
Phase	Preclinical
Structure Type	MOL
InChI Key	LMAPKIKMRRTUGC-QXXUAEQASA-N

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

1003.2

MW (Da)

Availability	Unknown
Chirality	Unknown

First in Class Prodrug

Molecular Formula	C53H59FN8O9S
MW	1003.17

IC50 2 meas. best 5.55

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
A-375 CHEMBL613859	IC50	5.55	5.55	2800.0	1
A549 CHEMBL392	IC50	4.56	4.56	27300.0	1

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
A-375	IC50	=	2800.0	nM	5.55	Antiproliferative activity against human A-375 cells incubated for 4 days by MTT...	36655129
A549	IC50	=	27300.0	nM	4.56	Antiproliferative activity against human A549 cells incubated for 4 days by MTT ...	36655129

PubMed	DOI	Target Context	# Activities
36655129	10.1021/acsmedchemlett.2c00446	Dual specificity mitogen-activated protein kinase kinase; MEK1/2	8
36655129	10.1021/acsmedchemlett.2c00446	A-375	2
36655129	10.1021/acsmedchemlett.2c00446	von Hippel-Lindau disease tumor suppressor-MAP2K1/MAP2K2	1
36655129	10.1021/acsmedchemlett.2c00446	Dual specificity mitogen-activated protein kinase kinase 1	1
36655129	10.1021/acsmedchemlett.2c00446	Dual specificity mitogen-activated protein kinase kinase 2	1
36655129	10.1021/acsmedchemlett.2c00446	A549	1
36655129	10.1021/acsmedchemlett.2c00446	Unchecked	1

Data from ChEMBL 36 via Core Engine