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Compound Detail

CHEMBL56155

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O=C1CNC(=O)N1CCCN1CCC(Cc2ccccc2)CC1

Basic Information

ChEMBL ID CHEMBL56155
Phase Preclinical
Structure Type MOL
InChI Key LWKRPIQDBOYLDR-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

315.4
MW (Da)
1.88
ALogP
3
HBA
1
HBD
52.6
PSA (Ų)
0.82
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C18H25N3O2
MW 315.42
Aromatic Rings 1
Heavy Atoms 23
NP-Likeness -1.00

Activity Summary

IC50 1 meas. best 4.57

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Glutamate receptor ionotropic, NMDA 3A
CHEMBL342
IC50 4.57 4.57 27000.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
10794706 10.1021/jm990537r Glutamate receptor ionotropic, NMDA 3A 2
20692832 10.1016/j.bmcl.2010.07.043 Glutamate NMDA receptor; GRIN1/GRIN2B 2
10794706 10.1021/jm990537r Glutamate receptor ionotropic, NMDA 2C 1

Data from ChEMBL 36 via Core Engine