Compound Detail

CHEMBL187128

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N#Cc1ccc(Cn2cncc2COc2ccc(C#N)c(-c3cccc4ccccc34)c2)cc1

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL187128
Phase	Preclinical
Structure Type	MOL
InChI Key	IHOOEJUNONOSPR-UHFFFAOYSA-N

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

440.5

MW (Da)

6.07

ALogP

HBA

HBD

74.6

PSA (Å²)

0.32

QED

Ro5 Violations

Rot. Bonds

First in Class Prodrug

IC50 4 meas. best 9.42

EC50 1 meas. best 8.92

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
Protein farnesyltransferase CHEMBL2095178	IC50	9.42	9.42	0.4	1
Unchecked CHEMBL612545	IC50	9.42	9.42	0.4	2
Protein farnesyltransferase CHEMBL2096912	EC50	8.92	8.92	1.2	1
Geranylgeranyl transferase type I CHEMBL2096987	IC50	6.62	6.62	240.0	1

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
Protein farnesyltransferase	IC50	=	0.38	nM	9.42	Inhibition of bovine farnesyltransferase	15454229
Unchecked	IC50	=	0.3802	nM	9.42	Inhibition of FTase	19515462
Unchecked	IC50	=	0.3802	nM	9.42	Inhibition of farnesyltransferase	17448576
Protein farnesyltransferase	EC50	=	1.2	nM	8.92	Inhibition of H-Ras transformed NIH-3T3-cell proliferation	15454229
Geranylgeranyl transferase type I	IC50	=	240.0	nM	6.62	Inhibition of bovine Geranylgeranyltransferase	15454229

PubMed	DOI	Target Context	# Activities
15454229	10.1016/j.bmcl.2004.08.011	Protein farnesyltransferase	2
15454229	10.1016/j.bmcl.2004.08.011	Geranylgeranyl transferase type I	1
19515462	10.1016/j.ejmech.2009.04.045	Unchecked	1
17448576	10.1016/j.ejmech.2007.02.003	Unchecked	1

Data from ChEMBL 36 via Core Engine