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Compound Detail

CHEMBL119625

ZONAMPANEL
🧪 Phase II
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🧪 Phase II
O=C(O)Cn1c(=O)c(=O)[nH]c2cc([N+](=O)[O-])c(-n3ccnc3)cc21

Basic Information

ChEMBL ID CHEMBL119625
Name ZONAMPANEL
Phase Phase II
Structure Type MOL
InChI Key SPXYHZRWPRQLNS-UHFFFAOYSA-N

Known Names

Ym 872 YM 872 ANHYDROUS YM-872 YM-872 ANHYDROUS YM872 YM872 ANHYDROUS Zonampanel Zonampanel anhydrous Zonampanel monohydrate
4
Targets
7
Activities
2
Assay Types
3
PK Parameters
14
Publications
9
Known Names
2
Indications
1
Mechanisms

Molecular Properties

331.2
MW (Da)
-0.13
ALogP
8
HBA
2
HBD
153.1
PSA (Ų)
0.38
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Chirality Achiral
USAN Stem -ampa-
USAN Year 2000

Extended Properties

Molecular Formula C13H9N5O6
MW 331.24
Aromatic Rings 3
Heavy Atoms 24
NP-Likeness -1.59

Mechanism of Action

Mechanism Action Type Target Direct Efficacy
Glutamate receptor ionotropic AMPA antagonist ANTAGONIST Glutamate receptor ionotropic AMPA

Indications

Ischemic Stroke Stroke

Activity Summary

IC50 4 meas. best 5.52
Ki 3 meas. best 7.21

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Glutamate receptor ionotropic, AMPA
CHEMBL2093871
Ki 7.21 7.21 62.0 2
Unchecked
CHEMBL612545
Ki 7.02 7.02 96.0 1
Solute carrier family 22 member 6
CHEMBL1641347
IC50 5.52 5.52 3000.0 1
Unchecked
CHEMBL612545
IC50 5.34 5.34 4600.0 1
Organic anion transporter 3
CHEMBL1641348
IC50 5.18 5.18 6600.0 1

Pharmacokinetic Data

Parameter Value Units Species
CL 5.3 mL.min-1.kg-1 Homo sapiens
MRT 0.6 hr Homo sapiens
T1/2 0.78 hr Homo sapiens

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
18426954 10.1124/dmd.108.020479 ADMET 4
20356304 10.1021/jm901688m Rattus norvegicus 3
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
14505662 10.1016/s0960-894x(03)00740-6 Glutamate receptor ionotropic, AMPA 1
14505662 10.1016/s0960-894x(03)00740-6 Glutamate receptors; NMDA/AMPA 1
15380209 10.1016/j.bmcl.2004.07.093 Glutamate receptor ionotropic, AMPA 1
15380209 10.1016/j.bmcl.2004.07.093 Glutamate receptors; NMDA/AMPA 1
15380209 10.1016/j.bmcl.2004.07.093 Rattus norvegicus 1
15380209 10.1016/j.bmcl.2004.07.093 No relevant target 1
20356304 10.1021/jm901688m Solute carrier family 22 member 6 1
20356304 10.1021/jm901688m Organic anion transporter 3 1
20356304 10.1021/jm901688m Solute carrier family 22 member 11 1

Data from ChEMBL 36 via Core Engine