Compound Detail

CHEMBL25620

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Cn1cncc1C(O)(C#Cc1ccc(C#N)cc1-c1ccc2c(c1)OCO2)c1ccc(C#N)cc1

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL25620
Phase	Preclinical
Structure Type	MOL
InChI Key	RXGGZGACWDLIGX-UHFFFAOYSA-N

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

458.5

MW (Da)

3.85

ALogP

HBA

HBD

104.1

PSA (Å²)

0.47

QED

Ro5 Violations

Rot. Bonds

First in Class Prodrug

IC50 2 meas. best 9.17

EC50 1 meas. best 8.85

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
Protein farnesyltransferase CHEMBL2094108	IC50	9.17	9.17	0.7	1
Protein farnesyltransferase CHEMBL2094108	EC50	8.85	8.85	1.4	1
Geranylgeranyl transferase type-1 subunit beta CHEMBL4135	IC50	5.25	5.25	5600.0	1

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
Protein farnesyltransferase	IC50	=	0.68	nM	9.17	Inhibition of human FTase-catalyzed incorporation of [3H]FPP into recombinant Ra...	12657267
Protein farnesyltransferase	EC50	=	1.4	nM	8.85	Inhibition of farnesylation in NIH-3T3H-ras cell line	12657267
Geranylgeranyl transferase type-1 subunit beta	IC50	=	5600.0	nM	5.25	Inhibition of human GGTase-catalyzed incorporation of [3H]GGPP into biotinylated...	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