Compound Detail

CHEMBL352525

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CN1CCC(CC(=O)N2CCN(C3c4ccc(Cl)cc4CCc4cc(Br)cnc43)CC2)CC1

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL352525
Phase	Preclinical
Structure Type	MOL
InChI Key	MMVLVRLMGLVJPZ-UHFFFAOYSA-N

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

531.9

MW (Da)

4.56

ALogP

HBA

HBD

39.7

PSA (Å²)

0.58

QED

Ro5 Violations

Rot. Bonds

First in Class Prodrug

IC50 2 meas. best 7.0

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
Protein farnesyltransferase CHEMBL2094108	IC50	7.0	6.96	100.0	2

Parameter	Value	Units	Species
AUC	40600.0	ng.hr.mL-1	Mus musculus
AUC	18.4	uh ml-1	Mus musculus
AUC	32900.0	ng.hr.mL-1	Mus musculus
AUC	39.0	uh ml-1	Mus musculus
AUC	37200.0	ng.hr.mL-1	Macaca fascicularis
Cmax	4000.0	nM	Mus musculus
Cmax	30000.0	nM	Mus musculus
Cmax	1500.0	nM	Macaca fascicularis
F	45.0	%	Mus musculus
F	100.0	%	Mus musculus
T1/2	8.3	hr	Mus musculus
T1/2	8.5	hr	Mus musculus

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
Protein farnesyltransferase	IC50	=	100.0	nM	7.0	Inhibition of Farnesyltransferase from Ras-CVLS or Ras-CVLL in Cos-7 monkey kidn...	9526562
Protein farnesyltransferase	IC50	=	120.0	nM	6.92	In vitro inhibition of farnesyltransferase farnesylation of the H-ras oncogene	9526562

PubMed	DOI	Target Context	# Activities
9526562	10.1021/jm970462w	Mus musculus	10
9526562	10.1021/jm970462w	Cynomolgus monkey	4
9526562	10.1021/jm970462w	Protein farnesyltransferase	2
9526562	10.1021/jm970462w	geranylgeranyltransferase type-I	1
9526562	10.1021/jm970462w	ADMET	1

Data from ChEMBL 36 via Core Engine