Compound Detail

CHEMBL182978

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Cc1ccccc1-c1cc(C(OCc2ccc(C#N)cc2)c2cncn2C)ccc1C#N

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL182978
Phase	Preclinical
Structure Type	MOL
InChI Key	LNNBTFQWNBDZFR-UHFFFAOYSA-N

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

418.5

MW (Da)

5.45

ALogP

HBA

HBD

74.6

PSA (Å²)

0.42

QED

Ro5 Violations

Rot. Bonds

First in Class Prodrug

IC50 4 meas. best 8.4

EC50 1 meas. best 6.38

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
Protein farnesyltransferase CHEMBL2095178	IC50	8.4	8.36	4.0	2
Unchecked CHEMBL612545	IC50	8.39	8.39	4.1	1
Geranylgeranyl transferase type I CHEMBL2096987	IC50	6.75	6.75	180.0	1
Protein farnesyltransferase CHEMBL2096912	EC50	6.38	6.38	420.0	1

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
Protein farnesyltransferase	IC50	=	4.0	nM	8.4	Inhibition of Bovine farnesyl transferase	15582430
Unchecked	IC50	=	4.074	nM	8.39	Inhibition of farnesyltransferase	17448576
Protein farnesyltransferase	IC50	=	4.8	nM	8.32	Inhibition of Bovine farnesyl transferase	15582430
Geranylgeranyl transferase type I	IC50	=	180.0	nM	6.75	Inhibition of Bovine geranylgeranyl transferase	15582430
Protein farnesyltransferase	EC50	=	420.0	nM	6.38	Effective concentration against H-ras processing in transformed NIH3T3 cells	15582430

PubMed	DOI	Target Context	# Activities
15582430	10.1016/j.bmcl.2004.10.014	Protein farnesyltransferase	3
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