Compound Detail

CHEMBL183832

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Cn1cncc1C(OCc1ccc(C#N)c(N2CCCC(O)C2)n1)c1ccc(C#N)c(-c2ccccc2C(F)(F)F)c1

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL183832
Phase	Preclinical
Structure Type	MOL
InChI Key	AAWKUFHCCMHBMW-UHFFFAOYSA-N

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

572.6

MW (Da)

5.51

ALogP

HBA

HBD

111.0

PSA (Å²)

0.31

QED

Ro5 Violations

Rot. Bonds

First in Class Prodrug

IC50 3 meas. best 8.89

EC50 1 meas. best 7.89

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
Protein farnesyltransferase CHEMBL2095178	IC50	8.89	8.89	1.3	1
Unchecked CHEMBL612545	IC50	8.88	8.88	1.3	1
Protein farnesyltransferase CHEMBL2096912	EC50	7.89	7.89	13.0	1
Geranylgeranyl transferase type I CHEMBL2096987	IC50	5.85	5.85	1400.0	1

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
Protein farnesyltransferase	IC50	=	1.3	nM	8.89	Inhibition of Bovine farnesyl transferase	15582430
Unchecked	IC50	=	1.318	nM	8.88	Inhibition of farnesyltransferase	17448576
Protein farnesyltransferase	EC50	=	13.0	nM	7.89	Effective concentration against H-ras processing in transformed NIH3T3 cells	15582430
Geranylgeranyl transferase type I	IC50	=	1400.0	nM	5.85	Inhibition of Bovine geranylgeranyl transferase	15582430

PubMed	DOI	Target Context	# Activities
15582430	10.1016/j.bmcl.2004.10.014	Protein farnesyltransferase	2
15582430	10.1016/j.bmcl.2004.10.014	Geranylgeranyl transferase type I	1
17448576	10.1016/j.ejmech.2007.02.003	Unchecked	1

Data from ChEMBL 36 via Core Engine