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Compound Detail

CHEMBL191599

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O=C(O)[C@H]1NCCN(C(=O)c2ccccc2)[C@H]1C(=O)O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL191599
Phase Preclinical
Structure Type MOL
InChI Key SZUBJWFYDNLJEC-VHSXEESVSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

278.3
MW (Da)
-0.36
ALogP
4
HBA
3
HBD
106.9
PSA (Ų)
0.70
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 C13H14N2O5
MW 278.26
Aromatic Rings 1
Heavy Atoms 20
NP-Likeness -0.32

Literature References

PubMed DOI Target Context # Activities
15801853 10.1021/jm0492498 Glutamate NMDA receptor; Grin1/Grin2a 1
15801853 10.1021/jm0492498 Glutamate NMDA receptor; Grin1/Grin2b 1
15801853 10.1021/jm0492498 Glutamate NMDA receptor; Grin1/Grin2c 1
15801853 10.1021/jm0492498 Unchecked 1

Data from ChEMBL 36 via Core Engine