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Compound Detail

CHEMBL2011610

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OC[C@@H]1NCC=C[C@@H]1O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL2011610
Phase Preclinical
Structure Type MOL
InChI Key IIZFBLMFSCOJPJ-WDSKDSINSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

129.2
MW (Da)
-1.13
ALogP
3
HBA
3
HBD
52.5
PSA (Ų)
0.39
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 C6H11NO2
MW 129.16
Aromatic Rings 0
Heavy Atoms 9
NP-Likeness 2.22

Literature References

PubMed DOI Target Context # Activities
24900342 10.1021/ml200050s Ceramide glucosyltransferase 2
24900342 10.1021/ml200050s Unchecked 1
24900342 10.1021/ml200050s Beta-glucosidase 1

Data from ChEMBL 36 via Core Engine