Compound Detail

CHEMBL5800675

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Cc1ccc(NC(=O)c2ccnc(C(F)F)c2)cc1-c1cc(N2CCOCC2)n2nccc2n1

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL5800675
Phase	Preclinical
Structure Type	MOL
InChI Key	OQBWUQJBAXXYLL-UHFFFAOYSA-N

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

464.5

MW (Da)

4.13

ALogP

HBA

HBD

84.7

PSA (Å²)

0.48

QED

Ro5 Violations

Rot. Bonds

Availability	Unknown
Chirality	Unknown

First in Class Prodrug

IC50 6 meas. best 9.7

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
RAF proto-oncogene serine/threonine-protein kinase CHEMBL1906	IC50	9.7	9.7	0.2	2
Unchecked CHEMBL612545	IC50	9.7	9.55	0.2	2
Serine/threonine-protein kinase B-raf CHEMBL5145	IC50	9.4	9.4	0.4	2

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
Unchecked	IC50	=	0.2	nM	9.7	Raf Activity Assay: Raf and biotinylated Mek, kinase dead, were combined at 2x f...	-
RAF proto-oncogene serine/threonine-protein kinase	IC50	=	0.2	nM	9.7	In Vitro Raf Activity: Raf and biotinylated Mek, kinase dead, were combined at 2...	-
RAF proto-oncogene serine/threonine-protein kinase	IC50	=	0.2	nM	9.7	In Vitro Activity Assay: C-Raf TR refers to a truncated C-Raf protein, a Δ1-324 ...	-
Serine/threonine-protein kinase B-raf	IC50	=	0.4	nM	9.4	Raf Activity Assay: Raf and biotinylated Mek, kinase dead, were combined at 2x f...	-
Serine/threonine-protein kinase B-raf	IC50	=	0.4	nM	9.4	In Vitro Raf Activity: Raf and biotinylated Mek, kinase dead, were combined at 2...	-
Unchecked	IC50	=	0.4	nM	9.4	In Vitro Activity Assay: C-Raf TR refers to a truncated C-Raf protein, a Δ1-324 ...	-

Data from ChEMBL 36 via Core Engine