Compound Detail

CHEMBL3963847

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CC1(n2cnc3cnc4cc(F)c(-c5ccc(Oc6ncccn6)cc5Cl)cc4c32)CCN(C(N)=O)CC1

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL3963847
Phase	Preclinical
Structure Type	MOL
InChI Key	GXXWPISUTVICBK-UHFFFAOYSA-N

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

532.0

MW (Da)

5.52

ALogP

HBA

HBD

112.0

PSA (Å²)

0.33

QED

Ro5 Violations

Rot. Bonds

First in Class Prodrug

IC50 3 meas. best 8.28

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	8.28	8.28	5.3	1
Dual specificity mitogen-activated protein kinase kinase 1 CHEMBL3587	IC50	8.28	8.28	5.3	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	=	5.3	nM	8.28	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	=	5.3	nM	8.28	Radioactive Binding Assay: The radioactive filter binding assay is standardized ...	-
Dual specificity mitogen-activated protein kinase kinase 1	IC50	=	5.3	nM	8.28	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