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Compound Detail

CHEMBL227922

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NC(Cc1c(O)noc1-c1nnnn1Cc1ccccc1)C(=O)O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL227922
Phase Preclinical
Structure Type MOL
InChI Key XWQKLMRSKCSFNI-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

330.3
MW (Da)
0.04
ALogP
9
HBA
3
HBD
153.2
PSA (Ų)
0.57
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 C14H14N6O4
MW 330.30
Aromatic Rings 3
Heavy Atoms 24
NP-Likeness -1.08

Literature References

PubMed DOI Target Context # Activities
17455929 10.1021/jm061439q Unchecked 3
17455929 10.1021/jm061439q Glutamate NMDA receptor 1

Data from ChEMBL 36 via Core Engine