Compound Detail

CHEMBL61301

TECASTEMIZOLE

🧪 Phase II

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🧪 Phase II

Fc1ccc(Cn2c(NC3CCNCC3)nc3ccccc32)cc1

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL61301
Name	TECASTEMIZOLE
Phase	Phase II
Structure Type	MOL
InChI Key	SFOVDSLXFUGAIV-UHFFFAOYSA-N

Known Names

Norastemizole Norastemizole (trivial name) R-43512 Tecastemizol Tecastemizole

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

Molecular Properties

324.4

MW (Da)

3.39

ALogP

HBA

HBD

41.9

PSA (Å²)

0.77

QED

Ro5 Violations

Rot. Bonds

Drug Information

Molecule Type	Small molecule
Chirality	Achiral

USAN Year

2002

Extended Properties

Molecular Formula	C19H21FN4
MW	324.40
Aromatic Rings	3
Heavy Atoms	24
NP-Likeness	-1.37

Activity Summary

IC50 10 meas. best 7.56

Kd 1 meas. best 4.0

Target Activity Profile

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
Voltage-gated inwardly rectifying potassium channel KCNH2 CHEMBL240	IC50	7.56	7.5517	27.5	6
Plasmodium falciparum CHEMBL364	IC50	5.65	5.5225	2230.0	4
Nuclear receptor subfamily 4 group A member 2 CHEMBL5002	Kd	4.0	4.0	100000.0	1

Activity Data Samples

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
Voltage-gated inwardly rectifying potassium channel KCNH2	IC50	=	27.54	nM	7.56	Inhibition of human ERG channel in HEK293 cells by voltage-clamp method	18262683
Voltage-gated inwardly rectifying potassium channel KCNH2	IC50	=	28.0	nM	7.55	K+ channel blocking activity in human embryonic kidney cells expressing HERG Kv1...	12190308
Voltage-gated inwardly rectifying potassium channel KCNH2	IC50	=	28.18	nM	7.55	Inhibition of human Potassium channel HERG expressed in mammalian cells	12873512
Voltage-gated inwardly rectifying potassium channel KCNH2	IC50	=	28.18	nM	7.55	Inhibition of human voltage-gated potassium channel subunit Kv11.1 (ERG K+ chann...	15745831
Voltage-gated inwardly rectifying potassium channel KCNH2	IC50	=	28.18	nM	7.55	Inhibition of human ERG expressed in CHO cells by whole cell patch clamp techniq...	18448342
Voltage-gated inwardly rectifying potassium channel KCNH2	IC50	=	28.18	nM	7.55	Inhibition of human ERG in MCF7 cells	19110341
Plasmodium falciparum	IC50	=	2230.0	nM	5.65	Antimalarial activity against Plasmodium falciparum ItG assessed as inhibition o...	16816845
Plasmodium falciparum	IC50	=	2304.0	nM	5.64	Antimalarial activity against Plasmodium falciparum 3D7 infected in ARh+ human e...	29042223
Plasmodium falciparum	IC50	=	3590.0	nM	5.45	Antimalarial activity against Plasmodium falciparum Dd2 assessed as inhibition o...	16816845
Plasmodium falciparum	IC50	=	4477.0	nM	5.35	Antimalarial activity against Plasmodium falciparum 3D7 assessed as inhibition o...	16816845
Nuclear receptor subfamily 4 group A member 2	Kd	=	100000.0	nM	4.0	Binding affinity to Nurr1 (unknown origin) by 1H-STD-NMR spectroscopy	30295487

Literature References

PubMed	DOI	Target Context	# Activities
29042223	10.1016/j.bmc.2017.10.004	Plasmodium falciparum	5
16816845	10.1038/nchembio806	Plasmodium falciparum	3
-	10.6019/CHEMBL4808148	Histone deacetylase 6	2
12190308	10.1021/jm0208875	Voltage-gated inwardly rectifying potassium channel KCNH2	1
12873512	10.1016/s0960-894x(03)00492-x	Voltage-gated inwardly rectifying potassium channel KCNH2	1
15745831	10.1016/j.bmcl.2005.01.008	Voltage-gated inwardly rectifying potassium channel KCNH2	1
18448342	10.1016/j.bmc.2008.04.028	Voltage-gated inwardly rectifying potassium channel KCNH2	1
18262683	10.1016/j.ejmech.2007.12.025	Voltage-gated inwardly rectifying potassium channel KCNH2	1
19110341	10.1016/j.ejmech.2008.11.009	Voltage-gated inwardly rectifying potassium channel KCNH2	1
19110341	10.1016/j.ejmech.2008.11.009	No relevant target	1
30295487	10.1021/acs.jmedchem.8b01210	Nuclear receptor subfamily 4 group A member 2	1

Data from ChEMBL 36 via Core Engine