Compound Detail

CHEMBL1784712

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FC(F)(F)c1ccc(Nc2cc(C(F)(F)F)nc3ncnn23)cc1

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL1784712
Phase	Preclinical
Structure Type	MOL
InChI Key	QAWZBLSZJFEDEM-UHFFFAOYSA-N

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

347.2

MW (Da)

3.91

ALogP

HBA

HBD

55.1

PSA (Å²)

0.71

QED

Ro5 Violations

Rot. Bonds

First in Class Prodrug

IC50 3 meas. best 5.77

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
Dihydroorotate dehydrogenase CHEMBL3486	IC50	5.77	5.77	1700.0	1
Dihydroorotate dehydrogenase (quinone), mitochondrial CHEMBL3588732	IC50	5.77	5.77	1700.0	1
Unchecked CHEMBL612545	IC50	5.64	5.64	2300.0	1

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
Dihydroorotate dehydrogenase	IC50	=	1700.0	nM	5.77	Inhibition of His6-tagged recombinant Plasmodium falciparum dihydroorotate dehyd...	21517059
Dihydroorotate dehydrogenase (quinone), mitochondrial	IC50	=	1700.0	nM	5.77	Inhibiton Assay: For studying inhibition of Plasmodium or human DHODH enzyme, tw...	-
Unchecked	IC50	=	2300.0	nM	5.64	Inhibition of His6-tagged recombinant Plasmodium berghei dihydroorotate dehydrog...	21517059

PubMed	DOI	Target Context	# Activities
21517059	10.1021/jm200265b	Dihydroorotate dehydrogenase	1
21517059	10.1021/jm200265b	Unchecked	1
21517059	10.1021/jm200265b	Dihydroorotate dehydrogenase (quinone), mitochondrial	1
21517059	10.1021/jm200265b	Plasmodium falciparum	1

Data from ChEMBL 36 via Core Engine