Compound Detail

CHEMBL3934040

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Cn1cccc(Oc2ccc(-c3cc4c(cc3F)ncc3ncn(C5(C)CCN(C(N)=O)CC5)c34)c(Cl)c2)c1=O

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL3934040
Phase	Preclinical
Structure Type	MOL
InChI Key	HTYIISVKUAGYRR-UHFFFAOYSA-N

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

561.0

MW (Da)

5.42

ALogP

HBA

HBD

108.3

PSA (Å²)

0.32

QED

Ro5 Violations

Rot. Bonds

First in Class Prodrug

IC50 3 meas. best 8.42

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	8.42	8.42	3.8	1
Dual specificity mitogen-activated protein kinase kinase 1 CHEMBL3587	IC50	8.42	8.42	3.8	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	=	3.8	nM	8.42	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	=	3.8	nM	8.42	Radioactive Binding Assay: The radioactive filter binding assay is standardized ...	-
Dual specificity mitogen-activated protein kinase kinase 1	IC50	=	3.8	nM	8.42	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