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Compound Detail

CHEMBL113829

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NC(Cc1nc2ccccc2nc1CCP(=O)(O)O)C(=O)O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL113829
Phase Preclinical
Structure Type MOL
InChI Key XTQHVRDHFYINED-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

325.3
MW (Da)
0.30
ALogP
5
HBA
4
HBD
146.6
PSA (Ų)
0.55
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C13H16N3O5P
MW 325.26
Aromatic Rings 2
Heavy Atoms 22
NP-Likeness 0.09

Literature References

PubMed DOI Target Context # Activities
8093907 10.1021/jm00055a004 Glutamate NMDA receptor 2

Data from ChEMBL 36 via Core Engine