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Compound Detail

CHEMBL435378

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CC1CCc2c(nc(O)c(-c3ccccc3)c2O)C1

Basic Information

ChEMBL ID CHEMBL435378
Phase Preclinical
Structure Type MOL
InChI Key VPWTZJBXKSFWRP-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

255.3
MW (Da)
3.28
ALogP
3
HBA
2
HBD
53.4
PSA (Ų)
0.82
QED
0
Ro5 Violations
1
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C16H17NO2
MW 255.32
Aromatic Rings 2
Heavy Atoms 19
NP-Likeness 0.29

Activity Summary

IC50 1 meas. best 5.46

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Glutamate receptor ionotropic, NMDA 1
CHEMBL330
IC50 5.46 5.46 3500.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
- 10.1016/0960-894X(95)00374-3 Glutamate receptor ionotropic, NMDA 1 2
- 10.1016/0960-894X(95)00374-3 Mus musculus 2

Data from ChEMBL 36 via Core Engine