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Compound Detail

CHEMBL417386

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Cc1cc(C)c2c(c1)N[C@@H](C(=O)O)[C@@H](C)C2=O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL417386
Phase Preclinical
Structure Type MOL
InChI Key RXIJESYGXYMNGH-LDYMZIIASA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

233.3
MW (Da)
2.00
ALogP
3
HBA
2
HBD
66.4
PSA (Ų)
0.78
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 C13H15NO3
MW 233.27
Aromatic Rings 1
Heavy Atoms 17
NP-Likeness 0.64

Activity Summary

IC50 1 meas. best 4.86

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Glutamate NMDA receptor
CHEMBL1907608
 IC50 4.86 4.86 13700.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Glutamate NMDA receptor IC50 = 13700.0 nM 4.86 Concentration required to inhibit 50% of the specific binding of [3H]glycine to ... 1534583

Literature References

PubMed DOI Target Context # Activities
1534583 10.1021/jm00089a003 Glutamate NMDA receptor 1
1534583 10.1021/jm00089a003 Glutamate receptors; NMDA/AMPA 1

Data from ChEMBL 36 via Core Engine