Compound Detail

CHEMBL14935

TEZAMPANEL ANHYDROUS

🧪 Phase II

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🧪 Phase II

O=C(O)[C@@H]1C[C@H]2C[C@@H](CCc3nn[nH]n3)CC[C@H]2CN1

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL14935
Name	TEZAMPANEL ANHYDROUS
Phase	Phase II
Structure Type	MOL
InChI Key	ZXFRFPSZAKNPQQ-YTWAJWBKSA-N

Known Names

LY-293,558 LY-293558 NGX-424 NGX424 Tezampanel anhydrous

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

Indications

Molecular Properties

279.3

MW (Da)

0.61

ALogP

HBA

HBD

103.8

PSA (Å²)

0.75

QED

Ro5 Violations

Rot. Bonds

Drug Information

Molecule Type	Small molecule
Chirality	Single Enantiomer

USAN Stem	-ampa-
USAN Year	2006

Extended Properties

Molecular Formula	C13H21N5O2
MW	279.34
Aromatic Rings	1
Heavy Atoms	20
NP-Likeness	0.52

Indications

Migraine Disorders

Activity Summary

IC50 37 meas. best 6.64

Ki 17 meas. best 6.17

Target Activity Profile

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
Glutamate receptor ionotropic, AMPA CHEMBL2093871	IC50	6.64	5.785	230.0	12
Glutamate receptor ionotropic, kainate CHEMBL2094119	IC50	6.64	5.0475	230.0	4
Xenopus sp. CHEMBL612667	IC50	6.63	6.63	233.0	1
Glutamate receptor ionotropic, kainate 1 CHEMBL1918	IC50	6.3	6.3	500.0	1
Unchecked CHEMBL612545	IC50	6.3	5.58	500.0	3
Unchecked CHEMBL612545	Ki	6.17	5.505	680.0	4
Glutamate receptor ionotropic AMPA CHEMBL2096670	IC50	5.87	5.595	1350.0	2
Glutamate receptor 2 CHEMBL4016	Ki	5.66	5.545	2210.0	4
Glutamate receptor ionotropic, kainate 1 CHEMBL1918	Ki	5.38	5.38	4160.0	3
Rattus norvegicus CHEMBL376	IC50	5.22	4.6433	6000.0	3
Glutamate receptor 1 CHEMBL2009	Ki	5.04	5.04	9200.0	2
Glutamate NMDA receptor CHEMBL1907608	IC50	4.92	4.5714	12100.0	7
Glutamate [NMDA] receptor CHEMBL2094124	IC50	4.92	4.92	12100.0	1
Glutamate receptor 3 CHEMBL3595	Ki	4.5	4.5	32000.0	2
Glutamate receptor 4 CHEMBL3190	Ki	4.3	4.3	50000.0	2

Activity Data Samples

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
Glutamate receptor ionotropic, kainate	IC50	=	230.0	nM	6.64	Inhibitory activity against generation of currents by 50 uM kainate in Xenopus o...	10843235
Glutamate receptor ionotropic, AMPA	IC50	=	230.0	nM	6.64	Antagonistic activity against Ionotropic glutamate receptor AMPA using kainate-e...	11133083
Xenopus sp.	IC50	=	233.0	nM	6.63	Inhibition of currents generated by 50 uM kainate in Xenopus oocytes injected wi...	11354378
Glutamate receptor ionotropic, kainate 1	IC50	=	500.0	nM	6.3	Inhibition of GluK1 receptor (unknown origin)	23121096
Unchecked	IC50	=	500.0	nM	6.3	Inhibition of AMPA receptor (unknown origin)	23121096
Glutamate receptor ionotropic, AMPA	IC50	=	600.0	nM	6.22	Affinity towards Ionotropic glutamate receptor AMPA using [3H]AMPA as ligand on ...	11206442
Glutamate receptor ionotropic, AMPA	IC50	=	600.0	nM	6.22	In vitro binding affinity towards ionotropic glutamate receptor AMPA using [3H]A...	10571148
Glutamate receptor ionotropic, AMPA	IC50	=	600.0	nM	6.22	Displacement of [3H]AMPA from Ionotropic glutamate receptor AMPA of rat cortical...	11354378
Glutamate receptor ionotropic, AMPA	IC50	=	600.0	nM	6.22	Binding affinity for Ionotropic glutamate receptor AMPA	11133083
Glutamate receptor ionotropic, AMPA	IC50	=	600.0	nM	6.22	Displacement of [3H]AMPA from Ionotropic glutamate receptor AMPA of rat cortical...	10843235
Unchecked	Ki	=	680.0	nM	6.17	Displacement of [3H]AMPA from AMPA receptor in rat cortical membrane	20356304
Unchecked	IC50	=	1300.0	nM	5.89	Displacement of [3H]AMPA from AMPA receptor in rat cortical membrane	20356304
Glutamate receptor ionotropic AMPA	IC50	=	1350.0	nM	5.87	Inhibitory activity against AMPA receptor using [3H]AMPA as radioligand	8393116
Glutamate receptor ionotropic, AMPA	IC50	=	1800.0	nM	5.75	Antagonism at AMPA receptor by inhibition of depolarizations induced by 40 uM AM...	8667366
Unchecked	Ki	=	2100.0	nM	5.68	Inhibition of [3H]KA binding to human iontropic glutamate receptors 5 and 6	15974569
Glutamate receptor 2	Ki	=	2210.0	nM	5.66	Inhibition of [3H]AMPA binding to human Ionotropic glutamate receptor 2	15974569
Glutamate receptor 2	Ki	=	3000.0	nM	5.52	Displacement of [3H]AMPA from homomeric recombinant GluA2 receptor (unknown orig...	24140446
Glutamate receptor 2	Ki	=	3200.0	nM	5.5	Binding affinity to GluR2	20356304
Glutamate receptor 2	Ki	=	3200.0	nM	5.5	Ability to displace binding of [3H]AMPA to recombinant human Ionotropic glutamat...	12238915
Unchecked	Ki	=	4200.0	nM	5.38	Ability to displace binding of [3H]AMPA to recombinant human Ionotropic glutamat...	12238915

Literature References

PubMed	DOI	Target Context	# Activities
8667366	10.1021/jm950913h	Glutamate NMDA receptor	4
8667366	10.1021/jm950913h	Glutamate receptor ionotropic, AMPA	4
8667366	10.1021/jm950913h	Glutamate receptor ionotropic, kainate	4
20356304	10.1021/jm901688m	Homo sapiens	3
15974569	10.1021/jm0491952	Unchecked	3
8667366	10.1021/jm950913h	Mus musculus	3
20356304	10.1021/jm901688m	Unchecked	3
8523401	10.1021/jm00025a005	Rattus norvegicus	3
11354378	10.1016/s0960-894x(01)00180-9	Mus musculus	2
20356304	10.1021/jm901688m	Glutamate receptor 1	2
11206442	10.1016/s0960-894x(00)00592-8	Mus musculus	2
11133083	10.1016/s0960-894x(00)00561-8	Glutamate receptor ionotropic, AMPA	2
8667365	10.1021/jm950912p	Glutamate receptor ionotropic, kainate	2
8667365	10.1021/jm950912p	Glutamate receptor ionotropic, AMPA	2
8667365	10.1021/jm950912p	Glutamate NMDA receptor	2
20356304	10.1021/jm901688m	Glutamate receptor 3	2
20356304	10.1021/jm901688m	Glutamate receptor 4	2
12238915	10.1021/jm025548q	Glutamate receptor ionotropic, kainate 2	2
12238915	10.1021/jm025548q	Unchecked	2
20356304	10.1021/jm901688m	Glutamate receptor 2	2

Data from ChEMBL 36 via Core Engine