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Compound Detail

CHEMBL13260

YM-90K
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O=c1[nH]c2cc(-n3ccnc3)c([N+](=O)[O-])cc2[nH]c1=O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL13260
Name YM-90K
Phase Preclinical
Structure Type MOL
InChI Key GBWIZNYOJITVFI-UHFFFAOYSA-N
9
Targets
42
Activities
2
Assay Types
0
PK Parameters
20
Publications
0
Known Names

Molecular Properties

273.2
MW (Da)
0.31
ALogP
6
HBA
2
HBD
126.7
PSA (Ų)
0.39
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C11H7N5O4
MW 273.21
Aromatic Rings 3
Heavy Atoms 20
NP-Likeness -1.70

Activity Summary

IC50 21 meas. best 6.7
Ki 21 meas. best 7.08

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Glutamate receptor ionotropic, AMPA
CHEMBL2093871
 Ki 7.08 7.0533 84.0 6
Glutamate receptor ionotropic AMPA
CHEMBL2096670
 Ki 7.08 6.182 84.0 5
Unchecked
CHEMBL612545
 Ki 7.08 6.37 84.0 2
Glutamate receptor ionotropic, AMPA
CHEMBL2093871
 IC50 6.7 6.5267 200.0 9
Glutamate receptor ionotropic, kainate
CHEMBL2094119
 IC50 6.58 6.55 260.0 2
Rattus norvegicus
CHEMBL376
 IC50 6.58 6.335 260.0 2
Xenopus sp.
CHEMBL612667
 IC50 6.58 6.58 260.0 1
Glutamate receptor ionotropic, kainate
CHEMBL2094119
 Ki 5.66 5.66 2200.0 2
Glutamate receptor ionotropic kainate
CHEMBL2109241
 Ki 5.32 5.32 4800.0 1
Glutamate NMDA receptor
CHEMBL1907608
 Ki 5.13 4.605 7400.0 4
Glutamate NMDA receptor
CHEMBL1907608
 IC50 5.0 4.9171 10000.0 7
Glutamate receptor ionotropic, NMDA 1
CHEMBL330
 Ki 4.43 4.43 37000.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Glutamate receptor ionotropic, AMPA Ki = 84.0 nM 7.08 Inhibition of [3H]AMPA binding to Ionotropic glutamate receptor from rat whole b... 9207947
Glutamate receptor ionotropic, AMPA Ki = 84.0 nM 7.08 Binding affinity against AMPA receptor in rat brain membrane using [3H]-AMPA as ... 8120865
Glutamate receptor ionotropic AMPA Ki = 84.0 nM 7.08 Displacement of [3H]AMPA from AMPA receptor (unknown origin) 34998058
Unchecked Ki = 84.0 nM 7.08 Displacement of [3H]AMPA from AMPA receptor in rat cortical membrane 20356304
Glutamate receptor ionotropic, AMPA Ki = 84.0 nM 7.08 Binding affinity towards Ionotropic glutamate receptor AMPA was determined in ra... 8831762
Glutamate receptor ionotropic, AMPA Ki = 84.0 nM 7.08 In vitro inhibition of the specific binding of [3H]AMPA to Ionotropic glutamate ... 8632440
Glutamate receptor ionotropic, AMPA Ki = 100.0 nM 7.0 Displacement of [3H]AMPA (5 nM) from ionotropic glutamate receptor AMPA of rat c... 15380209
Glutamate receptor ionotropic, AMPA Ki = 100.0 nM 7.0 Binding affinity for ionotropic glutamate receptor AMPA using [3H]AMPA as radiol... 14505662
Glutamate receptor ionotropic AMPA Ki = 135.0 nM 6.87 In vitro binding affinity against AMPA receptor by [3H]AMPA displacement. -
Glutamate receptor ionotropic AMPA Ki = 135.0 nM 6.87 Displacement of [3H]AMPA from AMPA receptor -
Glutamate receptor ionotropic, AMPA IC50 = 200.0 nM 6.7 Binding affinity was determined against ionotropic glutamate receptor AMPA in ra... 7562904
Glutamate receptor ionotropic, AMPA IC50 = 200.0 nM 6.7 Binding affinity was determined against ionotropic glutamate receptor AMPA in ra... 7562904
Glutamate receptor ionotropic, kainate IC50 = 260.0 nM 6.58 Inhibitory activity against generation of currents by 50 uM kainate in Xenopus o... 10843235
Glutamate receptor ionotropic, AMPA IC50 = 260.0 nM 6.58 Antagonistic activity against Ionotropic glutamate receptor AMPA using kainate-e... 11133083
Rattus norvegicus IC50 = 260.0 nM 6.58 The compound was tested for its inhibition of currents generated by 50 uM Kainat... 10741560
Xenopus sp. IC50 = 260.0 nM 6.58 Inhibition of currents generated by 50 uM kainate in Xenopus oocytes injected wi... 11354378
Glutamate receptor ionotropic, kainate IC50 = 300.0 nM 6.52 Antagonistic activity against rat ionotropic glutamate receptor ionotropic kaina... 8568808
Glutamate receptor ionotropic, AMPA IC50 = 350.0 nM 6.46 Affinity towards Ionotropic glutamate receptor AMPA using [3H]AMPA as ligand on ... 11206442
Glutamate receptor ionotropic, AMPA IC50 = 350.0 nM 6.46 In vitro binding affinity towards ionotropic glutamate receptor AMPA using [3H]A... 10571148
Glutamate receptor ionotropic, AMPA IC50 = 350.0 nM 6.46 Displacement of [3H]AMPA from Ionotropic glutamate receptor AMPA of rat cortical... 10843235

Literature References

PubMed DOI Target Context # Activities
11354378 10.1016/s0960-894x(01)00180-9 Mus musculus 4
10741560 10.1016/s0960-894x(00)00054-8 Mus musculus 3
34998058 10.1016/j.ejmech.2021.114085 Glutamate receptor ionotropic AMPA 3
11206442 10.1016/s0960-894x(00)00592-8 Mus musculus 3
9207947 10.1021/jm960664c Glutamate NMDA receptor 2
- 10.1016/S0960-894X(97)00428-9 Mus musculus 2
11133083 10.1016/s0960-894x(00)00561-8 Glutamate receptor ionotropic, AMPA 2
- 10.6019/CHEMBL4651402 SARS-CoV-2 2
14505662 10.1016/s0960-894x(03)00740-6 Rattus norvegicus 2
20356304 10.1021/jm901688m Unchecked 2
20356304 10.1021/jm901688m Glutamate NMDA receptor 2
8120865 10.1021/jm00030a006 Glutamate NMDA receptor 2
7562904 10.1021/jm00019a003 Glutamate receptor ionotropic, AMPA 2
10843235 10.1016/s0960-894x(00)00181-5 Mus musculus 2
11206442 10.1016/s0960-894x(00)00592-8 Glutamate NMDA receptor 1
10571148 10.1016/s0960-894x(99)00502-8 Glutamate receptor ionotropic, AMPA 1
10571148 10.1016/s0960-894x(99)00502-8 Glutamate NMDA receptor 1
10741560 10.1016/s0960-894x(00)00054-8 Rattus norvegicus 1
10741560 10.1016/s0960-894x(00)00054-8 Glutamate NMDA receptor 1
9207947 10.1021/jm960664c Rattus norvegicus 1

Data from ChEMBL 36 via Core Engine