Structure

InChI Key UQRORFVVSGFNRO-XFWSIPNHSA-N
Smile CCCCN1C[C@H](O)[C@@H](O)[C@@H](O)[C@H]1CO
InChI
InChI=1S/C10H21NO4/c1-2-3-4-11-5-8(13)10(15)9(14)7(11)6-12/h7-10,12-15H,2-6H2,1H3/t7-,8+,9+,10-/m1/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C10H21NO4
Molecular Weight 219.28
AlogP -1.45
Hydrogen Bond Acceptor 5.0
Hydrogen Bond Donor 4.0
Number of Rotational Bond 4.0
Polar Surface Area 84.16
Molecular species NEUTRAL
Aromatic Rings 0.0
Heavy Atoms 15.0

Pharmacology

Action Mechanism of Action Reference
INHIBITOR Ceramide glucosyltransferase inhibitor PubMed Other
Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Enzyme Hydrolase
- 10000 - - -
Enzyme Transferase
- 10000-10000 - - -
Enzyme
- 10000-10000 - - -

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Fabry Disease 3 D000795 ClinicalTrials

Related Entries

MCS

Cross References

Resources Reference
CAS NUMBER 141206-42-0
ChEMBL CHEMBL1086997
DrugBank DB14872
EPA CompTox DTXSID60161601
FDA SRS GVS3YDM418
PubChem 501391
SureChEMBL SCHEMBL6821044
ZINC ZINC000013719785