Compound Detail

CHEMBL322435

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CN1CCCC[C@@](CCC2CC2)(c2cccc(Oc3cc([C@](C)(N)c4cncn4C)ccc3C#N)c2)C1=O

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL322435
Phase	Preclinical
Structure Type	MOL
InChI Key	KVTUJRZUQCULNT-IOWSJCHKSA-N

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

511.7

MW (Da)

5.38

ALogP

HBA

HBD

97.2

PSA (Å²)

0.44

QED

Ro5 Violations

Rot. Bonds

First in Class Prodrug

EC50 2 meas. best 7.96

IC50 2 meas. best 9.74

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
Protein farnesyltransferase CHEMBL2094108	IC50	9.74	9.74	0.2	1
Geranylgeranyl transferase type I CHEMBL2095164	IC50	9.09	9.09	0.8	1
Protein farnesyltransferase CHEMBL2094108	EC50	7.96	7.96	11.0	1
Protein farnesyl/geranylgeranyl transferase CHEMBL2096991	EC50	5.89	5.89	1290.0	1

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
Protein farnesyltransferase	IC50	=	0.18	nM	9.74	Concentration required to inhibit recombinant human farnesyltransferase (FTase) ...	12825937
Geranylgeranyl transferase type I	IC50	=	0.81	nM	9.09	Concentration required to inhibit recombinant human geranylgeranyl transferase t...	12825937
Protein farnesyltransferase	EC50	=	11.0	nM	7.96	Inhibition of hDJ2 protein farnesylation	12825937
Protein farnesyl/geranylgeranyl transferase	EC50	=	1290.0	nM	5.89	Inhibition of K-Ras processing, farnesylation and/or geranylgeranylation in huma...	12825937

PubMed	DOI	Target Context	# Activities
12825937	10.1021/jm020587n	Protein farnesyltransferase	2
12825937	10.1021/jm020587n	Geranylgeranyl transferase type I	2
12825937	10.1021/jm020587n	Protein farnesyl/geranylgeranyl transferase	1

Data from ChEMBL 36 via Core Engine