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Compound Detail

CHEMBL21322

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CCO/N=C1\CN=CNC1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL21322
Phase Preclinical
Structure Type MOL
InChI Key FNEFWYFBBDXQOZ-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

141.2
MW (Da)
0.01
ALogP
4
HBA
1
HBD
46.0
PSA (Ų)
0.55
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C6H11N3O
MW 141.17
Aromatic Rings 0
Heavy Atoms 10
NP-Likeness -0.32

Literature References

PubMed DOI Target Context # Activities
9111297 10.1021/jm960467d Unchecked 1

Data from ChEMBL 36 via Core Engine