Compound Detail

CHEMBL280463

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CCCCCC(P(=O)(O)O)P(=O)(O)O

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL280463
Phase	Preclinical
Structure Type	MOL
InChI Key	HOWTZHBAEIAYRZ-UHFFFAOYSA-N

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

246.1

MW (Da)

1.25

ALogP

HBA

HBD

115.1

PSA (Å²)

0.41

QED

Ro5 Violations

Rot. Bonds

First in Class Prodrug

IC50 3 meas. best 5.25

Ki 2 meas. best 6.33

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
Farnesyl pyrophosphate synthase CHEMBL1782	Ki	6.33	6.185	470.0	2
Farnesyl pyrophosphate synthase CHEMBL1782	IC50	5.25	5.0967	5670.0	3

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
Farnesyl pyrophosphate synthase	Ki	=	470.0	nM	6.33	Binding affinity towards Trypanosoma cruzi farnesyl pyrophosphate synthase (TcFP...	12951099
Farnesyl pyrophosphate synthase	Ki	=	920.0	nM	6.04	Binding affinity towards farnesyl Pyrophosphate Synthase using [14C]- isopenteny...	14613320
Farnesyl pyrophosphate synthase	IC50	=	5670.0	nM	5.25	Inhibition of Trypanosoma cruzi farnesyl pyrophosphate synthase	12951099
Farnesyl pyrophosphate synthase	IC50	=	9600.0	nM	5.02	Inhibitory activity against farnesyl Pyrophosphate Synthase was determined	14613320
Farnesyl pyrophosphate synthase	IC50	=	9549.93	nM	5.02	Inhibitory activity against farnesyl Pyrophosphate Synthase expressed as #NAME? ...	14613320

PubMed	DOI	Target Context	# Activities
14613320	10.1021/jm0302344	Farnesyl pyrophosphate synthase	3
12951099	10.1016/s0960-894x(03)00663-2	Farnesyl pyrophosphate synthase	2
12951099	10.1016/s0960-894x(03)00663-2	Trypanosoma cruzi	2

Data from ChEMBL 36 via Core Engine