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Compound Detail

CHEMBL2011633

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CCCCN1CC[C@H](O)[C@H](O)[C@H]1CO
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL2011633
Phase Preclinical
Structure Type MOL
InChI Key IODUPADKAVXSTI-KXUCPTDWSA-N
0
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

203.3
MW (Da)
-0.43
ALogP
4
HBA
3
HBD
63.9
PSA (Ų)
0.58
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C10H21NO3
MW 203.28
Aromatic Rings 0
Heavy Atoms 14
NP-Likeness 1.23

Activity Summary

IC50 1 meas.

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