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Compound Detail

CHEMBL2012658

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N[C@]12NC(=O)N[C@H]1[C@H](O)[C@@H](O)[C@H](O)[C@H]2O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL2012658
Phase Preclinical
Structure Type MOL
InChI Key QSJOCUZQHBBNGJ-NVKKRIHQSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

219.2
MW (Da)
-4.22
ALogP
6
HBA
7
HBD
148.1
PSA (Ų)
0.22
QED
1
Ro5 Violations
0
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C7H13N3O5
MW 219.20
Aromatic Rings 0
Heavy Atoms 15
NP-Likeness 1.52

Literature References

PubMed DOI Target Context # Activities
24900357 10.1021/ml200098j Lysosomal acid glucosylceramidase 4
24900357 10.1021/ml200098j Unchecked 3
24900357 10.1021/ml200098j Ceramide glucosyltransferase 1
24900357 10.1021/ml200098j Alpha-galactosidase 1

Data from ChEMBL 36 via Core Engine