Compound Detail

CHEMBL193034

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C=C(Br)CN(C1Cc2cc(C#N)ccc2N(Cc2cncn2C)C1)S(=O)(=O)c1cn(C)cn1

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL193034
Phase	Preclinical
Structure Type	MOL
InChI Key	SPEKKKWCEBGMGP-UHFFFAOYSA-N

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

530.5

MW (Da)

2.56

ALogP

HBA

HBD

100.0

PSA (Å²)

0.47

QED

Ro5 Violations

Rot. Bonds

First in Class Prodrug

IC50 5 meas. best 9.4

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
Protein farnesyltransferase (PFT) CHEMBL2111381	IC50	9.4	9.4	0.4	1
Unchecked CHEMBL612545	IC50	9.4	9.25	0.4	2
Protein farnesyltransferase CHEMBL2095197	IC50	9.1	9.1	0.8	1
Plasmodium falciparum CHEMBL364	IC50	8.22	8.22	6.0	1

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
Protein farnesyltransferase (PFT)	IC50	=	0.4	nM	9.4	Inhibition of biotinylated lamin B peptide farnesylation by Plasmodium falciparu...	15916422
Unchecked	IC50	=	0.3981	nM	9.4	Inhibition of Plasmodium falciparum PFT	18329140
Protein farnesyltransferase	IC50	=	0.8	nM	9.1	Inhibition of biotinylated lamin B peptide farnesylation by rat farnesyltransfer...	15916422
Unchecked	IC50	=	0.7943	nM	9.1	Inhibition of rat PFT	18329140
Plasmodium falciparum	IC50	=	6.026	nM	8.22	Antiplasmodial activity against Plasmodium falciparum 3D7	18329140

PubMed	DOI	Target Context	# Activities
15916422	10.1021/jm0491039	Plasmodium falciparum	5
18329140	10.1016/j.ejmech.2008.01.025	Unchecked	2
15916422	10.1021/jm0491039	Protein farnesyltransferase (PFT)	1
15916422	10.1021/jm0491039	Protein farnesyltransferase	1
18329140	10.1016/j.ejmech.2008.01.025	Plasmodium falciparum	1

Data from ChEMBL 36 via Core Engine