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Compound Detail

CHEMBL151391

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CCCN(CC1CC1)C(=O)/C(=C\C1CCCN1)c1ccccc1

Basic Information

ChEMBL ID CHEMBL151391
Phase Preclinical
Structure Type MOL
InChI Key HCRRCJWDNPKWLC-RGEXLXHISA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

312.5
MW (Da)
3.47
ALogP
2
HBA
1
HBD
32.3
PSA (Ų)
0.78
QED
0
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C20H28N2O
MW 312.46
Aromatic Rings 1
Heavy Atoms 23
NP-Likeness -0.49

Activity Summary

IC50 1 meas. best 6.13

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Glutamate NMDA receptor
CHEMBL1907608
IC50 6.13 6.13 740.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
14640541 10.1021/jm030226n Glutamate NMDA receptor 1

Data from ChEMBL 36 via Core Engine