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Compound Detail

CHEMBL115761

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C(#Cc1ccc2[nH]nnc2c1)CN1CCC(Cc2ccccc2)CC1

Basic Information

ChEMBL ID CHEMBL115761
Phase Preclinical
Structure Type MOL
InChI Key AEWQMIPGNFXAOS-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

330.4
MW (Da)
3.26
ALogP
3
HBA
1
HBD
44.8
PSA (Ų)
0.75
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C21H22N4
MW 330.44
Aromatic Rings 3
Heavy Atoms 25
NP-Likeness -1.15

Activity Summary

IC50 1 meas. best 6.38

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Glutamate receptor ionotropic, NMDA 1
CHEMBL2015
IC50 6.38 6.38 420.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
10978188 10.1021/jm000023o Glutamate receptor ionotropic, NMDA 1 3

Data from ChEMBL 36 via Core Engine