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Compound Detail

CHEMBL81836

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O=C1C2=NCCCN(CCc3nnn[nH]3)C2=C1O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL81836
Phase Preclinical
Structure Type MOL
InChI Key QTTYEAOKIUJPEU-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

248.2
MW (Da)
-0.76
ALogP
7
HBA
2
HBD
107.4
PSA (Ų)
0.73
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 C10H12N6O2
MW 248.25
Aromatic Rings 1
Heavy Atoms 18
NP-Likeness -1.07

Literature References

PubMed DOI Target Context # Activities
9457246 10.1021/jm970504g Glutamate NMDA receptor 2
9457246 10.1021/jm970504g Mus musculus 1

Data from ChEMBL 36 via Core Engine