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Compound Detail

CHEMBL374793

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COc1ccc(CC2CCN(C(=O)c3cc4ccc(O)cc4[nH]3)CC2)cc1

Basic Information

ChEMBL ID CHEMBL374793
Phase Preclinical
Structure Type MOL
InChI Key WRZWZVCAXXDIPC-UHFFFAOYSA-N
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

364.4
MW (Da)
3.98
ALogP
3
HBA
2
HBD
65.6
PSA (Ų)
0.74
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 C22H24N2O3
MW 364.44
Aromatic Rings 3
Heavy Atoms 27
NP-Likeness -0.51

Activity Summary

IC50 2 meas. best 7.77

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Glutamate receptor ionotropic, NMDA 2B
CHEMBL311
IC50 7.77 7.435 17.0 2

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
17290978 10.1021/jm060420k Glutamate receptor ionotropic, NMDA 2B 2

Data from ChEMBL 36 via Core Engine