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Compound Detail

CHEMBL407274

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Oc1ccc(CC2CCN(CC#Cc3ccccc3)CC2)cc1

Basic Information

ChEMBL ID CHEMBL407274
Phase Preclinical
Structure Type MOL
InChI Key LPZVBJRIVHEVCF-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

305.4
MW (Da)
3.70
ALogP
2
HBA
1
HBD
23.5
PSA (Ų)
0.87
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 C21H23NO
MW 305.42
Aromatic Rings 2
Heavy Atoms 23
NP-Likeness -0.41

Activity Summary

IC50 1 meas. best 6.75

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Glutamate NMDA receptor; Grin1/Grin2b
CHEMBL2096666
IC50 6.75 6.75 180.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
10715162 10.1021/jm990428c Glutamate NMDA receptor; Grin1/Grin2a 1
10715162 10.1021/jm990428c Glutamate NMDA receptor; Grin1/Grin2b 1
10715162 10.1021/jm990428c Glutamate NMDA receptor; Grin1/Grin2c 1

Data from ChEMBL 36 via Core Engine