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Compound Detail

CHEMBL325890

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Oc1nc2ccc(C#CCN3CCC(Cc4ccccc4)CC3)cc2o1

Basic Information

ChEMBL ID CHEMBL325890
Phase Preclinical
Structure Type MOL
InChI Key HKUQSTGIJZJZJV-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

346.4
MW (Da)
3.84
ALogP
4
HBA
1
HBD
49.5
PSA (Ų)
0.73
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 C22H22N2O2
MW 346.43
Aromatic Rings 3
Heavy Atoms 26
NP-Likeness -0.93

Activity Summary

IC50 1 meas. best 7.31

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Glutamate receptor ionotropic, NMDA 1
CHEMBL2015
IC50 7.31 7.31 49.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
10978188 10.1021/jm000023o Glutamate receptor ionotropic, NMDA 2C 2
10978188 10.1021/jm000023o Glutamate receptor ionotropic, NMDA 1 1

Data from ChEMBL 36 via Core Engine