Compound Detail

CHEMBL9790

Enter ChEMBL ID:

Free Research Context This compound will appear in recent viewed items on the research home for this browser.

N#Cc1cc2c(cc1[N+](=O)[O-])=NC(=O)C(=O)N=2

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL9790
Phase	Preclinical
Structure Type	MOL
InChI Key	IAWXTSMHXFRLQR-UHFFFAOYSA-N

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

Molecular Properties

230.1

MW (Da)

-1.23

ALogP

HBA

HBD

125.8

PSA (Å²)

0.34

QED

Ro5 Violations

Rot. Bonds

Drug Information

Molecule Type	Small molecule
Availability	Unknown
Chirality	Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula	C9H2N4O4
MW	230.14
Aromatic Rings	1
Heavy Atoms	17
NP-Likeness	-0.74

Activity Summary

IC50 19 meas. best 7.42

Ki 7 meas. best 6.57

Kd 3 meas. best 5.86

Target Activity Profile

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
Glutamate receptor ionotropic, AMPA CHEMBL2093871	IC50	7.42	6.5817	38.0	6
Unchecked CHEMBL612545	IC50	6.89	6.41	130.0	3
Glutamate receptor ionotropic, AMPA CHEMBL2093871	Ki	6.57	6.505	270.0	2
Glutamate receptor ionotropic AMPA CHEMBL2096670	IC50	6.47	6.47	340.0	1
Glutamate receptor ionotropic, kainate 2 CHEMBL3607	Ki	5.98	5.98	1050.0	2
Glutamate receptor ionotropic, kainate 1 CHEMBL2919	Kd	5.86	5.82	1380.0	2
Glutamate receptor ionotropic, kainate CHEMBL2094119	IC50	5.82	5.6867	1500.0	3
Glutamate receptor ionotropic, kainate 5 CHEMBL4041	Kd	5.78	5.78	1660.0	1
Glutamate receptor ionotropic, kainate CHEMBL2094119	Ki	5.75	5.75	1800.0	1
Glutamate NMDA receptor CHEMBL1907608	IC50	5.32	4.8425	4800.0	4
Glutamate NMDA receptor CHEMBL1907608	Ki	5.25	4.925	5600.0	2
Glutamate receptor ionotropic, NMDA 1 CHEMBL330	IC50	5.1	5.1	7900.0	1
Metabotropic glutamate receptor 6 CHEMBL4573	IC50	4.64	4.64	23000.0	1

Activity Data Samples

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
Glutamate receptor ionotropic, AMPA	IC50	=	38.0	nM	7.42	In vitro inhibition of [3H]CNQX binding to Ionotropic glutamate receptor AMPA.	8648608
Unchecked	IC50	=	130.0	nM	6.89	Displacement of [3H]CNQX from Ionotropic glutamate receptor kainate/Ionotropic g...	-
Glutamate receptor ionotropic, AMPA	IC50	=	214.0	nM	6.67	Antagonist activity against AMPA receptor expressed in motoneurones by inhibitio...	16610801
Glutamate receptor ionotropic, AMPA	Ki	=	270.0	nM	6.57	Binding affinity against AMPA receptor in rat brain membrane using [3H]-AMPA as ...	8120865
Unchecked	IC50	=	300.0	nM	6.52	Displacement of [3H]AMPA from AMPA receptor in rat cortical membrane	20356304
Glutamate receptor ionotropic, AMPA	IC50	=	330.0	nM	6.48	Tested for the inhibition of binding of [3H]AMPA radioligand to Ionotropic gluta...	-
Glutamate receptor ionotropic AMPA	IC50	=	340.0	nM	6.47	Binding affinity against AMPA receptor using [3H]- AMPA radioligand	-
Glutamate receptor ionotropic, AMPA	Ki	=	360.0	nM	6.44	Binding affinity for Ionotropic glutamate receptor AMPA was determined by the ab...	-
Glutamate receptor ionotropic, AMPA	IC50	=	370.0	nM	6.43	In vitro inhibition of [3H]AMPA binding to Ionotropic glutamate receptor AMPA.	8648608
Glutamate receptor ionotropic, AMPA	IC50	=	540.0	nM	6.27	Inhibition of specific binding of [3H]AMPA to Ionotropic glutamate receptor AMPA...	9379437
Glutamate receptor ionotropic, AMPA	IC50	=	600.0	nM	6.22	Inhibition of AMPA induced electrophysiological responses in rat cortical slices...	8648608
Glutamate receptor ionotropic, kainate 2	Ki	=	1050.0	nM	5.98	Displacement of [3H]kainate from rat GLUK6 expressed in HEK293 cells	16610801
Glutamate receptor ionotropic, kainate 2	Ki	=	1050.0	nM	5.98	Displacement of [3H]kainate from rat GLUK6 receptor expressed in HEK293 cells	16302825
Glutamate receptor ionotropic, kainate 1	Kd	=	1380.0	nM	5.86	Activity at native GLUK5 kainate receptor assessed as antagonism of kainite-indu...	17348638
Glutamate receptor ionotropic, kainate	IC50	=	1500.0	nM	5.82	In vitro inhibition of [3H]KAIN binding to Ionotropic glutamate receptor kainate...	8648608
Unchecked	IC50	=	1500.0	nM	5.82	Displacement of [3H]kainate from kainate receptor in rat cortical membrane	20356304
Glutamate receptor ionotropic, kainate 1	Kd	=	1660.0	nM	5.78	Antagonism on GLUK5 containing kainate induced depolarization of isolated neonat...	16302825
Glutamate receptor ionotropic, kainate 5	Kd	=	1660.0	nM	5.78	Antagonist activity against GLUK5-containing kainate receptor by inhibition of k...	16610801
Glutamate receptor ionotropic, kainate	Ki	=	1800.0	nM	5.75	Binding affinity against kainate receptor in rat brain membrane using [3H]kainat...	8120865
Glutamate receptor ionotropic, kainate	IC50	=	2400.0	nM	5.62	Inhibition of specific binding of [3H]kainate to Ionotropic glutamate receptor k...	9379437

Literature References

PubMed	DOI	Target Context	# Activities
12444706	10.1021/np0202172	Cortical neurone	3
15679317	10.1021/np049705v	Unchecked	3
8648608	10.1021/jm950826p	Glutamate receptor ionotropic, AMPA	3
8120865	10.1021/jm00030a006	Glutamate NMDA receptor	2
20356304	10.1021/jm901688m	Unchecked	2
20356304	10.1021/jm901688m	Glutamate NMDA receptor	2
-	10.1016/S0960-894X(01)80558-8	Unchecked	2
-	10.1101/2020.04.21.054387	SARS-CoV-2	1
7990104	10.1021/jm00050a001	Glutamate NMDA receptor	1
-	10.1016/S0960-894X(01)80558-8	Glutamate receptor ionotropic, NMDA 1	1
8120865	10.1021/jm00030a006	Glutamate receptor ionotropic, kainate	1
9379437	10.1021/jm950028z	Glutamate receptor ionotropic, AMPA	1
9379437	10.1021/jm950028z	Glutamate receptor ionotropic, kainate	1
9379437	10.1021/jm950028z	Rattus norvegicus	1
-	10.1016/S0960-894X(01)80768-X	Glutamate receptor ionotropic, AMPA	1
-	10.1016/S0960-894X(00)80101-8	Glutamate receptor ionotropic, AMPA	1
-	10.1016/S0960-894X(01)80558-8	Rattus norvegicus	1
-	10.1016/S0960-894X(00)80101-8	Mus musculus	1
16302825	10.1021/jm050584l	Glutamate receptor ionotropic, kainate 1	1
8648608	10.1021/jm950826p	Glutamate receptor ionotropic, kainate	1

Data from ChEMBL 36 via Core Engine