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Compound Detail

CHEMBL259147

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C=CCNc1nc(NCCO)nc(N2CCCC2)n1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL259147
Phase Preclinical
Structure Type MOL
InChI Key XPCGTGLUYKYDKX-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

264.3
MW (Da)
0.47
ALogP
7
HBA
3
HBD
86.2
PSA (Ų)
0.62
QED
0
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C12H20N6O
MW 264.33
Aromatic Rings 1
Heavy Atoms 19
NP-Likeness -1.29

Literature References

PubMed DOI Target Context # Activities
17670938 10.1073/pnas.0705637104 Lysosomal acid glucosylceramidase 5

Data from ChEMBL 36 via Core Engine