Compound Detail

CHEMBL365269

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Cn1cncc1C(OCc1cn(Cc2cccc(C#N)c2)c(=O)cc1-c1cccc(Cl)c1)c1ccc(C#N)cc1

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL365269
Phase	Preclinical
Structure Type	MOL
InChI Key	XLADCPZMAAXJBZ-UHFFFAOYSA-N

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

546.0

MW (Da)

6.00

ALogP

HBA

HBD

96.6

PSA (Å²)

0.24

QED

Ro5 Violations

Rot. Bonds

First in Class Prodrug

IC50 2 meas. best 8.89

EC50 1 meas. best 8.05

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
Unchecked CHEMBL612545	IC50	8.89	8.89	1.3	1
Protein farnesyltransferase CHEMBL2096912	EC50	8.05	8.05	9.0	1
Geranylgeranyl transferase type I CHEMBL2096987	IC50	5.72	5.72	1900.0	1

Parameter	Value	Units	Species
F	47.0	%	Canis lupus familiaris
T1/2	1.4	hr	Canis lupus familiaris

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
Unchecked	IC50	=	1.3	nM	8.89	Inhibition of [3H]FPP incorporation into biotin-linked K-ras decapeptide (CVIM) ...	15324873
Protein farnesyltransferase	EC50	=	9.0	nM	8.05	Reduced farnesylation of H-ras transformed NIH3T3 cells	15324873
Geranylgeranyl transferase type I	IC50	=	1900.0	nM	5.72	inhibitory concentration needed to to reduce the bovine GGTase-catalyzed incorpo...	15324873

PubMed	DOI	Target Context	# Activities
15324873	10.1016/j.bmcl.2004.07.004	ADMET	3
15324873	10.1016/j.bmcl.2004.07.004	Unchecked	1
15324873	10.1016/j.bmcl.2004.07.004	Geranylgeranyl transferase type I	1
15324873	10.1016/j.bmcl.2004.07.004	Protein farnesyltransferase	1

Data from ChEMBL 36 via Core Engine