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Compound Detail

CHEMBL21779

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Basic Information

ChEMBL ID CHEMBL21779
Phase Preclinical
Structure Type MOL
InChI Key LYCRULPABDDZKY-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

114.2
MW (Da)
-0.37
ALogP
3
HBA
1
HBD
33.6
PSA (Ų)
0.50
QED
0
Ro5 Violations
1
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C5H10N2O
MW 114.15
Aromatic Rings 0
Heavy Atoms 8
NP-Likeness 0.66

Literature References

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

Data from ChEMBL 36 via Core Engine