ID: ALA408500

Max Phase: Preclinical

Molecular Formula: C15H31NO4

Molecular Weight: 289.42

Molecule Type: Small molecule

Associated Items:

Representations

Synonyms (4): N-(N-Nonyl)Deoxynojirimycin | N-Nonyl 1-Deoxynojirimycin | N-Nonyl-Deoxynojirimycin | N-Nonyldeoxynojirimycin
Synonyms from Alternative Forms(4):

    Canonical SMILES:  CCCCCCCCCN1C[C@H](O)[C@@H](O)[C@H](O)[C@H]1CO

    Standard InChI:  InChI=1S/C15H31NO4/c1-2-3-4-5-6-7-8-9-16-10-13(18)15(20)14(19)12(16)11-17/h12-15,17-20H,2-11H2,1H3/t12-,13+,14-,15-/m1/s1

    Standard InChI Key:  FTSCEGKYKXESFF-LXTVHRRPSA-N

    Associated Targets(Human)

    Beta-glucocerebrosidase 14647 Activities

    Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID

    Beta-glucosidase 258 Activities

    Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID

    Ceramide glucosyltransferase 308 Activities

    Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID

    Lysosomal alpha-glucosidase 35701 Activities

    Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID

    Galactocerebrosidase 1984 Activities

    Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID

    CuFi-1 34 Activities

    Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID

    Associated Targets(non-human)

    Os06g0676700 protein 12 Activities

    Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID

    Vero 26788 Activities

    Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID

    Dengue virus 413 Activities

    Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID

    West Nile virus 623 Activities

    Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID

    Lysosomal alpha-glucosidase 58 Activities

    Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID

    Beta-galactosidase 29 Activities

    Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID

    Sucrase-isomaltase 30 Activities

    Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID

    Ceramide glucosyltransferase 150 Activities

    Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID

    Oligo-1,6-glucosidase 218 Activities

    Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID

    Probable alpha-glucosidase Os06g0675700 20 Activities

    Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID

    Alpha-galactosidase 362 Activities

    Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID

    Beta-galactosidase 500 Activities

    Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID

    Non-lysosomal glucosylceramidase 15 Activities

    Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID

    Alpha-glucosidase 14 Activities

    Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID

    Beta-galactosidase 85 Activities

    Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID

    dengue virus type 2 2400 Activities

    Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID

    Molecule Features

    Natural Product: NoOral: NoChemical Probe: NoParenteral: No
    Molecule Type: Small moleculeTopical: NoFirst In Class: NoBlack Box: No
    Chirality: NoAvailability: NoProdrug: No

    Drug Indications

    MESH IDMESH Heading EFO IDsEFO TermsMax Phase for IndicationReferences

    Mechanisms of Action

    Mechanism of ActionAction Typetarget IDTarget NameTarget TypeTarget OrganismBinding Site NameReferences

    Properties

    Molecular Weight: 289.42Molecular Weight (Monoisotopic): 289.2253AlogP: 0.50#Rotatable Bonds: 9
    Polar Surface Area: 84.16Molecular Species: NEUTRALHBA: 5HBD: 4
    #RO5 Violations: 0HBA (Lipinski): 5HBD (Lipinski): 4#RO5 Violations (Lipinski): 0
    CX Acidic pKa: 12.90CX Basic pKa: 8.37CX LogP: 1.04CX LogD: 0.03
    Aromatic Rings: 0Heavy Atoms: 20QED Weighted: 0.46Np Likeness Score: 1.03

    References

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