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Compound Detail

CHEMBL505237

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

Basic Information

ChEMBL ID CHEMBL505237
Phase Preclinical
Structure Type MOL
InChI Key YZNNBIPIQWYLDM-SRQIZXRXSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
12
Publications
0
Known Names

Molecular Properties

147.2
MW (Da)
-1.94
ALogP
4
HBA
4
HBD
72.7
PSA (Ų)
0.35
QED
0
Ro5 Violations
1
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

Natural Product First in Class Prodrug

Extended Properties

Molecular Formula C6H13NO3
MW 147.17
Aromatic Rings 0
Heavy Atoms 10
NP-Likeness 2.96

Literature References

PubMed DOI Target Context # Activities
9157194 10.1021/np960646y Unchecked 8
21546253 10.1016/j.bmc.2011.04.011 Unchecked 8
21546253 10.1016/j.bmc.2011.04.011 Sucrase-isomaltase, intestinal 2
24900342 10.1021/ml200050s Ceramide glucosyltransferase 2
9157194 10.1021/np960646y Sucrase-isomaltase, intestinal 1
21546253 10.1016/j.bmc.2011.04.011 Glucosylceramidase 1
21546253 10.1016/j.bmc.2011.04.011 Lysosomal acid glucosylceramidase 1
21546253 10.1016/j.bmc.2011.04.011 Beta-galactosidase 1
21546253 10.1016/j.bmc.2011.04.011 Tissue alpha-L-fucosidase 1
21546253 10.1016/j.bmc.2011.04.011 Lactase/phlorizin hydrolase 1
24900342 10.1021/ml200050s Unchecked 1
24900342 10.1021/ml200050s Beta-glucosidase 1

Data from ChEMBL 36 via Core Engine