Compound Detail

CHEMBL457023

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Cc1cc(C)c(-c2cc(-c3ccc(N(C)C)cc3)[te+]c(-c3ccc(N(C)C)cc3)c2)c(C)c1.F[P-](F)(F)(F)(F)F

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL457023
Phase	Preclinical
Structure Type	MOL
InChI Key	LTNHIRUWRZANNW-UHFFFAOYSA-N
Parent Compound	CHEMBL3558634
Active Moiety	CHEMBL3558634

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

549.2

MW (Da)

First in Class Prodrug

Molecular Formula	C30H33F6N2PTe
MW	694.17

IC50 3 meas. best 5.92

EC50 1 meas. best 5.27

Ki 1 meas. best 7.4

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
Unchecked CHEMBL612545	Ki	7.4	7.4	40.0	1
Unchecked CHEMBL612545	IC50	5.92	5.645	1200.0	2
MDCK-II CHEMBL4296466	EC50	5.27	5.27	5400.0	1
MDCK-II CHEMBL4296466	IC50	5.02	5.02	9600.0	1

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
Unchecked	Ki	=	40.0	nM	7.4	Activity of verapamil-dependent ATPase in lipid activated mouse P-glycoprotein m...	18849167
Unchecked	IC50	=	1200.0	nM	5.92	Inhibition of verapamil-induced ATPase activity in lipid activated mouse P-glyco...	18849167
Unchecked	IC50	=	4300.0	nM	5.37	Inhibition of [3H]vinblastine transport in human PEAK stable cells over expressi...	18849167
MDCK-II	EC50	=	5400.0	nM	5.27	Enhancement of calcein-AM uptake in MDCK2 cells over expressing MDR1 after 20 mi...	18849167
MDCK-II	IC50	=	9600.0	nM	5.02	Inhibition of [3H]vinblastine transport in MDCK2 cells over expressing MDR1 asse...	18849167

PubMed	DOI	Target Context	# Activities
18849167	10.1016/j.bmc.2008.09.065	Unchecked	7
18849167	10.1016/j.bmc.2008.09.065	ADMET	7
18849167	10.1016/j.bmc.2008.09.065	MDCK-II	3
18849167	10.1016/j.bmc.2008.09.065	ATP-dependent translocase ABCB1	2
18849167	10.1016/j.bmc.2008.09.065	No relevant target	1

Data from ChEMBL 36 via Core Engine