N-(5-(4-chlorophenyl)-3,4-dihydroxytetrahydrofuran-2-yl)methanesulfonamide

ID: ALA5282141

Chembl Id: CHEMBL5282141

Max Phase: Preclinical

Molecular Formula: C11H14ClNO5S

Molecular Weight: 307.75

Associated Items:

Names and Identifiers

Canonical SMILES:  CS(=O)(=O)NC1OC(c2ccc(Cl)cc2)C(O)C1O

Standard InChI:  InChI=1S/C11H14ClNO5S/c1-19(16,17)13-11-9(15)8(14)10(18-11)6-2-4-7(12)5-3-6/h2-5,8-11,13-15H,1H3

Standard InChI Key:  WARBFTDFRXBWIQ-UHFFFAOYSA-N

Alternative Forms

  1. Parent:

    ALA5282141

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Associated Targets(Human)

FTO Tchem Alpha-ketoglutarate-dependent dioxygenase FTO (473 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID

Molecule Features

Natural Product: NoOral: NoChemical Probe: NoParenteral: No
Molecule Type: Topical: 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: 307.75Molecular Weight (Monoisotopic): 307.0281AlogP: 0.01#Rotatable Bonds: 3
Polar Surface Area: 95.86Molecular Species: NEUTRALHBA: 5HBD: 3
#RO5 Violations: HBA (Lipinski): 6HBD (Lipinski): 3#RO5 Violations (Lipinski):
CX Acidic pKa: 8.26CX Basic pKa: CX LogP: -0.08CX LogD: -0.13
Aromatic Rings: 1Heavy Atoms: 19QED Weighted: 0.73Np Likeness Score: 0.07

References

1. Perry GS, Das M, Woon ECY..  (2021)  Inhibition of AlkB Nucleic Acid Demethylases: Promising New Epigenetic Targets.,  64  (23.0): [PMID:34792334] [10.1021/acs.jmedchem.1c01694]

Source