Compound Detail

CHEMBL184707

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CCOc1cccc(-c2cc(C#N)ccc2COCc2cncn2Cc2ccc(C#N)cc2)c1

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL184707
Phase	Preclinical
Structure Type	MOL
InChI Key	LOJYBMUXZXMFRE-UHFFFAOYSA-N

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

448.5

MW (Da)

5.46

ALogP

HBA

HBD

83.9

PSA (Å²)

0.34

QED

Ro5 Violations

Rot. Bonds

First in Class Prodrug

IC50 3 meas. best 9.57

EC50 1 meas. best 7.66

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
Protein farnesyltransferase CHEMBL2094108	IC50	9.57	9.57	0.3	1
Unchecked CHEMBL612545	IC50	9.57	9.57	0.3	1
Protein farnesyltransferase CHEMBL2096912	EC50	7.66	7.66	21.9	1
Geranylgeranyl transferase type I CHEMBL2095164	IC50	5.5	5.5	3200.0	1

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
Protein farnesyltransferase	IC50	=	0.27	nM	9.57	Inhibition of [3H]FPP incorporation into recombinant Ras CVIM by human Farnesylt...	15380198
Unchecked	IC50	=	0.27	nM	9.57	Inhibition of FTase	17236767
Protein farnesyltransferase	EC50	=	21.9	nM	7.66	Reduced farnesylation in H-Ras NIH3T3 cells	15380198
Geranylgeranyl transferase type I	IC50	=	3200.0	nM	5.5	Inhibition of [3H]GGPP incorporation into C-terminus of K-Ras by human Geranylge...	15380198

PubMed	DOI	Target Context	# Activities
15380198	10.1016/j.bmcl.2004.07.083	Protein farnesyltransferase	2
15380198	10.1016/j.bmcl.2004.07.083	Geranylgeranyl transferase type I	1
15380198	10.1016/j.bmcl.2004.07.083	Protein farnesyl/geranylgeranyl transferase	1
17236767	10.1016/j.bmcl.2006.12.087	Unchecked	1

Data from ChEMBL 36 via Core Engine