Compound Detail

CHEMBL352237

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Cn1cncc1C(OCc1ccc(C#N)cc1C(=O)Nc1ccccc1)c1ccc(C#N)cc1

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL352237
Phase	Preclinical
Structure Type	MOL
InChI Key	QPSAUOPJRGVDPC-UHFFFAOYSA-N

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

447.5

MW (Da)

4.72

ALogP

HBA

HBD

103.7

PSA (Å²)

0.44

QED

Ro5 Violations

Rot. Bonds

First in Class Prodrug

EC50 1 meas. best 7.92

IC50 1 meas. best 5.65

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
Protein farnesyltransferase CHEMBL2094108	EC50	7.92	7.92	12.0	1
Protein farnesyltransferase CHEMBL2094108	IC50	5.65	5.65	2238.7	1

Parameter	Value	Units	Species
AUC	5720.0	ng.hr.mL-1	Canis lupus familiaris
CL	3.167	mL.min-1.kg-1	Canis lupus familiaris
F	96.0	%	Canis lupus familiaris
T1/2	18.4	hr	Canis lupus familiaris

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
Protein farnesyltransferase	EC50	=	12.0	nM	7.92	Effective concentration required for inhibition of farnesylation of Ras protein ...	14736242
Protein farnesyltransferase	IC50	=	2238.72	nM	5.65	Inhibition of FTase	16455255

PubMed	DOI	Target Context	# Activities
14736242	10.1021/jm030434f	Canis familiaris	4
14736242	10.1021/jm030434f	Protein farnesyltransferase	2
14736242	10.1021/jm030434f	Geranylgeranyl transferase type I	1
16455255	10.1016/j.bmcl.2006.01.019	Protein farnesyltransferase	1

Data from ChEMBL 36 via Core Engine