LUCERASTAT

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Synonyms
Status
Molecule Category Free-form
UNII GVS3YDM418
EPA CompTox DTXSID60161601

Structure

InChI Key UQRORFVVSGFNRO-XFWSIPNHSA-N
Smiles 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

Mechanism of Action Action Reference
Ceramide glucosyltransferase inhibitor INHIBITOR PubMed Other
Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Enzyme
- 300-460 - - -
EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Homo sapiens
- 300 - - -

Target Conservation

Protein: Ceramide glucosyltransferase
Description: Ceramide glucosyltransferase
Organism : Homo sapiens
Q16739 ENSG00000148154

Related Entries

Cross References

Resources Reference
ChEMBL CHEMBL1086997
DrugBank DB14872
FDA SRS GVS3YDM418
PubChem 501391
SureChEMBL SCHEMBL6821044
ZINC ZINC000013719785
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