Compound Detail

CHEMBL329067

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N#Cc1ccc(Cn2cncc2CN(CCCc2ccccc2)[C@H]2CCN(Cc3ccccc3)C2=O)cc1

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL329067
Phase	Preclinical
Structure Type	MOL
InChI Key	IZVROLMEXNRNHZ-HKBQPEDESA-N

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

503.6

MW (Da)

5.04

ALogP

HBA

HBD

65.2

PSA (Å²)

0.29

QED

Ro5 Violations

Rot. Bonds

First in Class Prodrug

IC50 4 meas. best 7.82

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
Protein farnesyltransferase CHEMBL2094108	IC50	7.82	7.475	15.0	2
Voltage-gated inwardly rectifying potassium channel KCNH2 CHEMBL240	IC50	7.62	7.62	24.0	1
Geranylgeranyl transferase type-1 subunit beta CHEMBL4135	IC50	4.92	4.92	12000.0	1

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
Protein farnesyltransferase	IC50	=	15.0	nM	7.82	In vitro inhibition of farnesyl transferase using purified recombinant human enz...	11520202
Voltage-gated inwardly rectifying potassium channel KCNH2	IC50	=	24.0	nM	7.62	Inhibition of human ERG channel	19534531
Protein farnesyltransferase	IC50	=	74.0	nM	7.13	Concentration required to displace 50% of a potent radiolabeled FTI from farnesy...	11520202
Geranylgeranyl transferase type-1 subunit beta	IC50	=	12000.0	nM	4.92	Inhibitory concentration of geranylgeranyl-protein transferase type I	11520202

PubMed	DOI	Target Context	# Activities
11520202	10.1021/jm010156p	Protein farnesyltransferase	2
11520202	10.1021/jm010156p	Geranylgeranyl transferase type-1 subunit beta	1
19534531	10.1021/jm900002x	Voltage-gated inwardly rectifying potassium channel KCNH2	1

Data from ChEMBL 36 via Core Engine