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

ID: ALA5188282

Chembl Id: CHEMBL5188282

PubChem CID: 168280756

Max Phase: Preclinical

Molecular Formula: C22H20BNO4

Molecular Weight: 373.22

Names and Identifiers

Canonical SMILES:  Cc1cccc(COc2cccc(C(=O)Nc3ccc4c(c3)B(O)OC4)c2)c1

Standard InChI:  InChI=1S/C22H20BNO4/c1-15-4-2-5-16(10-15)13-27-20-7-3-6-17(11-20)22(25)24-19-9-8-18-14-28-23(26)21(18)12-19/h2-12,26H,13-14H2,1H3,(H,24,25)

Standard InChI Key:  FPKBPHYZHFUQTD-UHFFFAOYSA-N

Alternative Forms

1. Parent:

   

   ALA5188282

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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: 373.22

Molecular Weight (Monoisotopic): 373.1485

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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