Compound Detail

CHEMBL184916

Enter ChEMBL ID:

Free Research Context This compound will appear in recent viewed items on the research home for this browser.

N#Cc1ccc(OCc2cncn2Cc2ccc(C#N)c(-c3cccc4ccccc34)c2)nc1

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL184916
Phase	Preclinical
Structure Type	MOL
InChI Key	UTHUXMFOXAKPJE-UHFFFAOYSA-N

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

441.5

MW (Da)

5.47

ALogP

HBA

HBD

87.5

PSA (Å²)

0.35

QED

Ro5 Violations

Rot. Bonds

First in Class Prodrug

IC50 4 meas. best 9.05

EC50 1 meas. best 7.22

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
Protein farnesyltransferase CHEMBL2095178	IC50	9.05	9.05	0.9	1
Unchecked CHEMBL612545	IC50	9.05	9.045	0.9	2
Protein farnesyltransferase CHEMBL2096912	EC50	7.22	7.22	60.0	1
Geranylgeranyl transferase type I CHEMBL2096987	IC50	6.38	6.38	420.0	1

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
Protein farnesyltransferase	IC50	=	0.9	nM	9.05	Inhibition of bovine farnesyltransferase	15454229
Unchecked	IC50	=	0.8913	nM	9.05	Inhibition of FTase	19515462
Unchecked	IC50	=	0.912	nM	9.04	Inhibition of farnesyltransferase	17448576
Protein farnesyltransferase	EC50	=	60.0	nM	7.22	Inhibition of H-Ras transformed NIH-3T3-cell proliferation	15454229
Geranylgeranyl transferase type I	IC50	=	420.0	nM	6.38	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