Compound Detail

CHEMBL3980017

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Cc1nc2cnc3cc(F)c(-c4ccc(Oc5nccc(C6CC6)n5)cc4Cl)cc3c2n1C1CCN(C(=O)CO)CC1

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL3980017
Phase	Preclinical
Structure Type	MOL
InChI Key	HBRLHEXMNQENQM-UHFFFAOYSA-N

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

587.1

MW (Da)

5.97

ALogP

HBA

HBD

106.3

PSA (Å²)

0.26

QED

Ro5 Violations

Rot. Bonds

First in Class Prodrug

IC50 3 meas. best 8.82

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	8.82	8.82	1.5	1
Dual specificity mitogen-activated protein kinase kinase 1 CHEMBL3587	IC50	8.82	8.82	1.5	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	=	1.5	nM	8.82	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	=	1.5	nM	8.82	Radioactive Binding Assay: The radioactive filter binding assay is standardized ...	-
Dual specificity mitogen-activated protein kinase kinase 1	IC50	=	1.5	nM	8.82	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