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Compound Detail

CHEMBL70749

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COc1cc(OC)cc(C2(N3CC=CCC3)CCCCC2)c1

Basic Information

ChEMBL ID CHEMBL70749
Phase Preclinical
Structure Type MOL
InChI Key BJXVQWYJSZNULG-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

301.4
MW (Da)
4.13
ALogP
3
HBA
0
HBD
21.7
PSA (Ų)
0.78
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C19H27NO2
MW 301.43
Aromatic Rings 1
Heavy Atoms 22
NP-Likeness 0.38

Activity Summary

Ki 1 meas. best 5.07

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Glutamate receptor ionotropic, NMDA 2C
CHEMBL401
Ki 5.07 5.07 8600.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
2374147 10.1021/jm00170a027 Glutamate receptor ionotropic, NMDA 2C 1

Data from ChEMBL 36 via Core Engine