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Compound Detail

CHEMBL72655

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CN(Cc1nn[nH]n1)[C@H]1CC[C@H]2CN[C@H](C(=O)O)C[C@H]2C1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL72655
Phase Preclinical
Structure Type MOL
InChI Key WBYDIZUWYAKAAM-VLEAKVRGSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

294.4
MW (Da)
-0.14
ALogP
6
HBA
3
HBD
107.0
PSA (Ų)
0.71
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C13H22N6O2
MW 294.36
Aromatic Rings 1
Heavy Atoms 21
NP-Likeness -0.32

Activity Summary

IC50 1 meas. best 4.18

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Glutamate NMDA receptor
CHEMBL1907608
 IC50 4.18 4.18 65800.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Glutamate NMDA receptor IC50 = 65800.0 nM 4.18 Binding affinity at N-methyl-D-aspartate glutamate receptor in rat cortical tiss... 8667365

Literature References

PubMed DOI Target Context # Activities
8667365 10.1021/jm950912p Glutamate NMDA receptor 2
8667365 10.1021/jm950912p Glutamate receptor ionotropic, AMPA 2
8667365 10.1021/jm950912p Glutamate receptor ionotropic, kainate 2

Data from ChEMBL 36 via Core Engine