Compound Detail

CHEMBL1784715

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CCc1c(C)nc2ncnn2c1Nc1ccc(OC(F)(F)F)cc1

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL1784715
Phase	Preclinical
Structure Type	MOL
InChI Key	ASDLKSYAGDCGAT-UHFFFAOYSA-N

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

337.3

MW (Da)

3.64

ALogP

HBA

HBD

64.3

PSA (Å²)

0.79

QED

Ro5 Violations

Rot. Bonds

First in Class Prodrug

IC50 3 meas. best 5.5

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
Dihydroorotate dehydrogenase CHEMBL3486	IC50	5.5	5.5	3200.0	1
Dihydroorotate dehydrogenase (quinone), mitochondrial CHEMBL3588732	IC50	5.5	5.5	3170.0	1
Unchecked CHEMBL612545	IC50	5.24	5.24	5700.0	1

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
Dihydroorotate dehydrogenase	IC50	=	3200.0	nM	5.5	Inhibition of His6-tagged recombinant Plasmodium falciparum dihydroorotate dehyd...	21517059
Dihydroorotate dehydrogenase (quinone), mitochondrial	IC50	=	3170.0	nM	5.5	Inhibiton Assay: For studying inhibition of Plasmodium or human DHODH enzyme, tw...	-
Unchecked	IC50	=	5700.0	nM	5.24	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