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Compound Detail

CHEMBL289832

LICOSTINEL
🧪 Phase II
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🧪 Phase II
O=c1[nH]c2cc(Cl)c(Cl)c([N+](=O)[O-])c2[nH]c1=O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL289832
Name LICOSTINEL
Phase Phase II
Structure Type MOL
InChI Key CHFSOFHQIZKQCR-UHFFFAOYSA-N

Known Names

ACEA 1021 ACEA-1021 ACEA1021 Licostinel
6
Targets
14
Activities
3
Assay Types
0
PK Parameters
20
Publications
4
Known Names

Molecular Properties

276.0
MW (Da)
1.43
ALogP
4
HBA
2
HBD
108.9
PSA (Ų)
0.47
QED
0
Ro5 Violations
1
Rot. Bonds

Drug Information

Molecule Type Small molecule
Chirality Achiral
USAN Stem -stinel
USAN Year 1997

Extended Properties

Molecular Formula C8H3Cl2N3O4
MW 276.04
Aromatic Rings 2
Heavy Atoms 17
NP-Likeness -0.95

Activity Summary

IC50 11 meas. best 8.85
EC50 2 meas. best 6.0
Ki 1 meas. best 8.1

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Glutamate NMDA receptor
CHEMBL1907608
 IC50 8.85 8.346 1.4 5
Glutamate [NMDA] receptor
CHEMBL2094124
 IC50 8.23 8.23 5.9 1
Glutamate receptor ionotropic, NMDA 1
CHEMBL330
 IC50 8.23 8.23 5.9 1
Glutamate receptor ionotropic, NMDA 1
CHEMBL330
 Ki 8.1 8.1 7.9 1
Rattus norvegicus
CHEMBL376
 IC50 6.74 6.74 183.0 1
Glutamate receptor ionotropic, AMPA
CHEMBL2093871
 IC50 6.12 5.97 766.0 2
Mus musculus
CHEMBL375
 EC50 6.0 6.0 1000.0 1
Rattus norvegicus
CHEMBL376
 EC50 5.96 5.96 1100.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Glutamate NMDA receptor IC50 = 1.4 nM 8.85 Binding affinity at glycine binding site of NMDA receptor in rat cortical membra... 11384240
Glutamate NMDA receptor IC50 = 2.8 nM 8.55 Affinity for the glycine binding site on rat N-methyl-D-aspartate glutamate rece... 9406596
Glutamate NMDA receptor IC50 = 4.0 nM 8.4 Displacement of [3H]dichlorokynurenate ([3H]-DCKA) from N-methyl-D-aspartate glu... 10882363
Glutamate [NMDA] receptor IC50 = 5.9 nM 8.23 Inhibition of [3H]DCKA binding to N-methyl-D-aspartate glutamate receptor 12699379
Glutamate receptor ionotropic, NMDA 1 IC50 = 5.9 nM 8.23 Potency for the N-methyl-D-aspartate glutamate receptor 1 glycine site by displa... 9057859
Glutamate NMDA receptor IC50 = 5.9 nM 8.23 Displacement of [3H]DCKA at N-methyl-D-aspartate glutamate receptor 1 9357535
Glutamate receptor ionotropic, NMDA 1 Ki = 7.943 nM 8.1 Inhibition of [3H]glycine to glycine binding site, associated with the N-methyl-... 9083472
Glutamate NMDA receptor IC50 = 20.0 nM 7.7 In vitro inhibitory concentration against binding of the [3H]glycine to strychni... 15715469
Rattus norvegicus IC50 = 183.0 nM 6.74 In vitro inhibitory concentration against glutamate stimulated accumulation of c... 15715469
Glutamate receptor ionotropic, AMPA IC50 = 766.0 nM 6.12 Displacement of [3H]-AMPA from Ionotropic glutamate receptor AMPA of rat cortica... 10882363
Mus musculus EC50 = 1000.0 nM 6.0 Antagonist activity in nociception formalin paw seizure model in vivo through ip... 7990104
Rattus norvegicus EC50 = 1100.0 nM 5.96 Inhibition of NMDA-induced depolarizations in rat cortical wedges. 11384240
Glutamate receptor ionotropic, AMPA IC50 = 1500.0 nM 5.82 Binding affinity in rat brain cortical membranes by the displacement of [3H]AMPA... 9357535

Literature References

PubMed DOI Target Context # Activities
15715469 10.1021/jm0491849 Rattus norvegicus 9
11384240 10.1021/jm001124p Mus musculus 3
15715469 10.1021/jm0491849 Mus musculus 3
7990104 10.1021/jm00050a001 Mus musculus 2
12699379 10.1021/jm0210156 Glutamate [NMDA] receptor 2
7473565 10.1021/jm00022a003 Glutamate receptor ionotropic, NMDA 1 1
9083472 10.1021/jm960644a Mus musculus 1
9083472 10.1021/jm960644a Glutamate receptor ionotropic, NMDA 1 1
9357535 10.1021/jm970396y Mus musculus 1
9357535 10.1021/jm970396y Glutamate receptor ionotropic, AMPA 1
9357535 10.1021/jm970396y Glutamate NMDA receptor 1
7473565 10.1021/jm00022a003 Unchecked 1
7473565 10.1021/jm00022a003 Glutamate receptor ionotropic, AMPA 1
9406596 10.1021/jm970417o Albumin 1
- 10.6019/CHEMBL3301361 No relevant target 1
9057859 10.1021/jm960654b Mus musculus 1
9057859 10.1021/jm960654b Glutamate receptor ionotropic, NMDA 1 1
7990104 10.1021/jm00050a001 Glutamate [NMDA] receptor 1
9406596 10.1021/jm970417o No relevant target 1
9406596 10.1021/jm970417o Glutamate NMDA receptor 1

Data from ChEMBL 36 via Core Engine