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Compound Detail

CHEMBL408899

TRICHOLOMIC ACID
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NC(C(=O)O)C1CC(O)=NO1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL408899
Name TRICHOLOMIC ACID
Phase Preclinical
Structure Type MOL
InChI Key NTHMUJMQOXQYBR-UHFFFAOYSA-N
3
Targets
18
Activities
2
Assay Types
0
PK Parameters
5
Publications
0
Known Names

Molecular Properties

160.1
MW (Da)
-0.94
ALogP
4
HBA
3
HBD
105.1
PSA (Ų)
0.48
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

Natural Product First in Class Prodrug

Extended Properties

Molecular Formula C5H8N2O4
MW 160.13
Aromatic Rings 0
Heavy Atoms 11
NP-Likeness 0.72

Activity Summary

IC50 12 meas. best 6.14
EC50 6 meas. best 4.0

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Unchecked
CHEMBL612545
 IC50 6.14 5.4963 724.4 8
Glutamate NMDA receptor
CHEMBL1907608
 IC50 5.82 4.98 1500.0 4
Metabotropic glutamate receptor 2
CHEMBL2851
 EC50 4.0 4.0 100000.0 2

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Unchecked IC50 = 724.44 nM 6.14 Displacement of [3H]KA from kainate receptor in rat cortical membrane 18338843
Unchecked IC50 = 760.0 nM 6.12 Displacement of [3H]KA from kainate receptor in rat cortical membrane 18338843
Unchecked IC50 = 1100.0 nM 5.96 Displacement of [3H]AMPA from AMPA receptor in rat cortical membrane 18338843
Unchecked IC50 = 1380.38 nM 5.86 Displacement of [3H]AMPA from AMPA receptor in rat cortical membrane 18338843
Glutamate NMDA receptor IC50 = 1500.0 nM 5.82 Displacement of [3H]CGP-39653 from NMDA receptor in rat cortical membrane 18338843
Glutamate NMDA receptor IC50 = 1513.56 nM 5.82 Displacement of [3H]CGP-39653 from NMDA receptor in rat cortical membrane 18338843
Unchecked IC50 = 6000.0 nM 5.22 Displacement of [3H]KA from kainate receptor in rat cortical membrane 18338843
Unchecked IC50 = 6025.6 nM 5.22 Displacement of [3H]KA from kainate receptor in rat cortical membrane 18338843
Unchecked IC50 = 18620.87 nM 4.73 Displacement of [3H]AMPA from AMPA receptor in rat cortical membrane 18338843
Unchecked IC50 = 19000.0 nM 4.72 Displacement of [3H]AMPA from AMPA receptor in rat cortical membrane 18338843
Glutamate NMDA receptor IC50 = 73000.0 nM 4.14 Displacement of [3H]CGP-39653 from NMDA receptor in rat cortical membrane 18338843
Glutamate NMDA receptor IC50 = 72443.6 nM 4.14 Displacement of [3H]CGP-39653 from NMDA receptor in rat cortical membrane 18338843
Metabotropic glutamate receptor 2 EC50 = 100000.0 nM 4.0 Activity at rat cloned mGluR2 expressed in CHO cells assessed as effect on cAMP ... 18338843
Metabotropic glutamate receptor 2 EC50 = 100000.0 nM 4.0 Activity at rat cloned mGluR2 expressed in CHO cells assessed as effect on cAMP ... 18338843

Literature References

PubMed DOI Target Context # Activities
18338843 10.1021/jm701394a Unchecked 8
18338843 10.1021/jm701394a Glutamate NMDA receptor 4
18338843 10.1021/jm701394a Metabotropic glutamate receptor 1 4
18338843 10.1021/jm701394a Metabotropic glutamate receptor 2 3
18338843 10.1021/jm701394a Metabotropic glutamate receptor 4 2

Data from ChEMBL 36 via Core Engine