(4-((3-(benzyloxy)benzamido)methyl)phenyl)boronic acid

ID: ALA5171336

Chembl Id: CHEMBL5171336

PubChem CID: 168269009

Max Phase: Preclinical

Molecular Formula: C21H20BNO4

Molecular Weight: 361.21

Names and Identifiers

Canonical SMILES:  O=C(NCc1ccc(B(O)O)cc1)c1cccc(OCc2ccccc2)c1

Standard InChI:  InChI=1S/C21H20BNO4/c24-21(23-14-16-9-11-19(12-10-16)22(25)26)18-7-4-8-20(13-18)27-15-17-5-2-1-3-6-17/h1-13,25-26H,14-15H2,(H,23,24)

Standard InChI Key:  KNLGDMYWBWLWNZ-UHFFFAOYSA-N

Alternative Forms

1. Parent:

   

   ALA5171336

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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: 361.21

Molecular Weight (Monoisotopic): 361.1485

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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