(1S,2S,3S,4S,5R)-Cyclohexane-1,2,3,4,5-pentaol

ID: ALA34244

Chembl Id: CHEMBL34244

Max Phase: Preclinical

Molecular Formula: C6H12O5

Molecular Weight: 164.16

Molecule Type: Small molecule

Associated Items:

Names and Identifiers

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

Standard InChI:  InChI=1S/C6H12O5/c7-2-1-3(8)5(10)6(11)4(2)9/h2-11H,1H2/t2-,3+,4-,5-,6-/m0/s1

Standard InChI Key:  IMPKVMRTXBRHRB-GNFDWLABSA-N

Alternative Forms

  1. Parent:

    ALA34244

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Associated Targets(non-human)

Gba1 Beta-glucocerebrosidase (36 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID

Molecule Features

Natural Product: YesOral: 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

Calculated Properties

Molecular Weight: 164.16Molecular Weight (Monoisotopic): 164.0685AlogP: -2.81#Rotatable Bonds:
Polar Surface Area: 101.15Molecular Species: NEUTRALHBA: 5HBD: 5
#RO5 Violations: HBA (Lipinski): 5HBD (Lipinski): 5#RO5 Violations (Lipinski):
CX Acidic pKa: 12.61CX Basic pKa: CX LogP: -3.09CX LogD: -3.09
Aromatic Rings: Heavy Atoms: 11QED Weighted: 0.27Np Likeness Score: 1.52

References

1. Ogawa S, Uetsuki S, Tezuka Y, Morikawa T, Takahashi A, Sato K..  (1999)  Synthesis and evaluation of glucocerebrosidase inhibitory activity of anhydro deoxyinositols from (+)-epi- and (-)-vibo-quercitols.,  (11): [PMID:10386923] [10.1016/s0960-894x(99)00223-1]

Source