Compound Detail

CHEMBL3936697

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Cc1nc2cnc3cc(F)c(-c4ccc(Oc5cccn(C)c5=O)cc4Cl)cc3c2n1C1CCN(C(N)=O)CC1

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL3936697
Phase	Preclinical
Structure Type	MOL
InChI Key	RFBRRBJZDPRBES-UHFFFAOYSA-N

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

561.0

MW (Da)

5.56

ALogP

HBA

HBD

108.3

PSA (Å²)

0.31

QED

Ro5 Violations

Rot. Bonds

First in Class Prodrug

IC50 3 meas. best 8.44

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
Serine/threonine-protein kinase RAF and Dual specificity mitogen-activated protein kinase kinase 1 (Raf/MEK) CHEMBL2111351	IC50	8.44	8.44	3.6	1
Dual specificity mitogen-activated protein kinase kinase 1 CHEMBL3587	IC50	8.44	8.44	3.6	2

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
Serine/threonine-protein kinase RAF and Dual specificity mitogen-activated protein kinase kinase 1 (Raf/MEK)	IC50	=	3.6	nM	8.44	Cascade Assay: A BRAF-MEK-ERK cascade assay is used to evaluate the effects of t...	-
Dual specificity mitogen-activated protein kinase kinase 1	IC50	=	3.6	nM	8.44	Radioactive Binding Assay: The radioactive filter binding assay is standardized ...	-
Dual specificity mitogen-activated protein kinase kinase 1	IC50	=	3.6	nM	8.44	TR-FRET Assay: [MEK1 1mM ATP IC50 uM] A BRAF-MEK-ERK cascade assay is used to ev...	-

Data from ChEMBL 36 via Core Engine