Compound Detail

CHEMBL25602

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N#Cc1ccc(Cn2ccnc2)cc1Oc1ccccc1

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL25602
Phase	Preclinical
Structure Type	MOL
InChI Key	GKIFAFOEYYUPML-UHFFFAOYSA-N

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

275.3

MW (Da)

3.60

ALogP

HBA

HBD

50.8

PSA (Å²)

0.73

QED

Ro5 Violations

Rot. Bonds

First in Class Prodrug

IC50 4 meas. best 6.64

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
Protein farnesyltransferase CHEMBL2094108	IC50	6.64	6.64	230.0	2
Geranylgeranyl transferase type I CHEMBL2095164	IC50	5.43	5.43	3700.0	1
Unchecked CHEMBL612545	IC50	5.43	5.43	3700.0	1

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
Protein farnesyltransferase	IC50	=	230.0	nM	6.64	Inhibition of rate of incorporation of [3H]FPP into recombinant Ras-CVIM by huma...	11392531
Protein farnesyltransferase	IC50	=	230.0	nM	6.64	Inhibition of FPTase (unknown origin)	-
Geranylgeranyl transferase type I	IC50	=	3700.0	nM	5.43	Inhibition of rate of incorporation of [3H]GGPP into a biotinylated peptide corr...	11392531
Unchecked	IC50	=	3700.0	nM	5.43	Inhibition of GGPTase-1 (unknown origin)	-

PubMed	DOI	Target Context	# Activities
11392531	10.1016/s0960-894x(01)00162-7	Protein farnesyltransferase	1
11392531	10.1016/s0960-894x(01)00162-7	Geranylgeranyl transferase type I	1
-	10.1039/C2MD20199B	Protein farnesyltransferase	1
-	10.1039/C2MD20199B	Unchecked	1

Data from ChEMBL 36 via Core Engine