3-((2,6-dichlorobenzyl)oxy)-N-(1-hydroxy-1,3-dihydrobenzo[c][1,2]oxaborol-6-yl)benzamide

ID: ALA5185746

Chembl Id: CHEMBL5185746

PubChem CID: 168281779

Max Phase: Preclinical

Molecular Formula: C21H16BCl2NO4

Molecular Weight: 428.08

Names and Identifiers

Canonical SMILES:  O=C(Nc1ccc2c(c1)B(O)OC2)c1cccc(OCc2c(Cl)cccc2Cl)c1

Standard InChI:  InChI=1S/C21H16BCl2NO4/c23-19-5-2-6-20(24)17(19)12-28-16-4-1-3-13(9-16)21(26)25-15-8-7-14-11-29-22(27)18(14)10-15/h1-10,27H,11-12H2,(H,25,26)

Standard InChI Key:  DUIINUJREDBKAK-UHFFFAOYSA-N

Alternative Forms

1. Parent:

   

   ALA5185746

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Molecule Features

Natural Product: No

Oral: No

Chemical Probe: No

Parenteral: No

Molecule Type:

Topical: No

First In Class: No

Black Box: No

Chirality: No

Availability: No

Prodrug: No

Calculated Properties

Molecular Weight: 428.08

Molecular Weight (Monoisotopic): 427.0549

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References

1. Kühl N, Lang J, Leuthold MM, Klein CD..  (2022)  Discovery of potent benzoxaborole inhibitors against SARS-CoV-2 main and dengue virus proteases.,  240  [PMID:35863275] [10.1016/j.ejmech.2022.114585]

Source

Source(1):

• Scientific Literature