Compound Detail

CHEMBL435247

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CCOc1cccc(-c2cc(C#N)ccc2COC(c2ccc(C#N)cc2)c2cncn2C)c1

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL435247
Phase	Preclinical
Structure Type	MOL
InChI Key	DQULASPPLJLHJJ-UHFFFAOYSA-N

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

448.5

MW (Da)

5.54

ALogP

HBA

HBD

83.9

PSA (Å²)

0.35

QED

Ro5 Violations

Rot. Bonds

First in Class Prodrug

EC50 1 meas. best 9.72

IC50 1 meas. best 6.16

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
Protein farnesyltransferase CHEMBL2094108	EC50	9.72	9.72	0.2	1
Protein farnesyltransferase CHEMBL2094108	IC50	6.16	6.16	691.8	1

Parameter	Value	Units	Species
AUC	1130.0	ng.hr.mL-1	Canis lupus familiaris
CL	16.67	mL.min-1.kg-1	Canis lupus familiaris
F	23.2	%	Canis lupus familiaris
T1/2	2.2	hr	Canis lupus familiaris

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
Protein farnesyltransferase	EC50	=	0.19	nM	9.72	Effective concentration required for inhibition of farnesylation of Ras protein ...	14736242
Protein farnesyltransferase	IC50	=	691.83	nM	6.16	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