Compound Detail

CHEMBL23370

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CCc1ccc(C#CC(O)(c2ccc(C#N)c(-c3cccc4ccccc34)c2)c2cncn2C)cc1

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL23370
Phase	Preclinical
Structure Type	MOL
InChI Key	VSZXKSCVZMOQFB-UHFFFAOYSA-N

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

467.6

MW (Da)

5.96

ALogP

HBA

HBD

61.8

PSA (Å²)

0.33

QED

Ro5 Violations

Rot. Bonds

First in Class Prodrug

IC50 2 meas. best 9.15

EC50 1 meas. best 6.89

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
Protein farnesyltransferase CHEMBL2094108	IC50	9.15	9.15	0.7	1
Geranylgeranyl transferase type-1 subunit beta CHEMBL4135	IC50	7.75	7.75	18.0	1
Protein farnesyltransferase CHEMBL2094108	EC50	6.89	6.89	130.0	1

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
Protein farnesyltransferase	IC50	=	0.7	nM	9.15	Inhibition of human FTase-catalyzed incorporation of [3H]FPP into recombinant Ra...	12657267
Geranylgeranyl transferase type-1 subunit beta	IC50	=	18.0	nM	7.75	Inhibition of human GGTase-catalyzed incorporation of [3H]GGPP into biotinylated...	12657267
Protein farnesyltransferase	EC50	=	130.0	nM	6.89	Inhibition of farnesylation in NIH-3T3H-ras cell line	12657267

PubMed	DOI	Target Context	# Activities
12657267	10.1016/s0960-894x(03)00122-7	Protein farnesyltransferase	2
12657267	10.1016/s0960-894x(03)00122-7	Geranylgeranyl transferase type-1 subunit beta	1
12657267	10.1016/s0960-894x(03)00122-7	Protein farnesyl/geranylgeranyl transferase	1

Data from ChEMBL 36 via Core Engine