ELIGLUSTAT

/static/temp/default.svg Search structure
Synonyms
Status
Molecule Category Free-form
ATC A16AX10
UNII DR40J4WA67

Structure

InChI Key FJZZPCZKBUKGGU-AUSIDOKSSA-N
Smiles CCCCCCCC(=O)N[C@H](CN1CCCC1)[C@H](O)c1ccc2c(c1)OCCO2
InChI
InChI=1S/C23H36N2O4/c1-2-3-4-5-6-9-22(26)24-19(17-25-12-7-8-13-25)23(27)18-10-11-20-21(16-18)29-15-14-28-20/h10-11,16,19,23,27H,2-9,12-15,17H2,1H3,(H,24,26)/t19-,23-/m1/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C23H36N2O4
Molecular Weight 404.55
AlogP 3.43
Hydrogen Bond Acceptor 5.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 11.0
Polar Surface Area 71.03
Molecular species NEUTRAL
Aromatic Rings 1.0
Heavy Atoms 29.0

Pharmacology

Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Enzyme Transferase
- 16 - - -
EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Homo sapiens
- 16 - - -

Cross References

Resources Reference
ChEBI 82752
ChEMBL CHEMBL2110588
DrugBank DB09039
DrugCentral 4834
FDA SRS DR40J4WA67
Guide to Pharmacology 7536
PharmGKB PA166123486
PubChem 23652731
SureChEMBL SCHEMBL421755
ZINC ZINC000072267023
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