3-(4-fluorophenyl)-N-(1-hydroxy-1,3-dihydrobenzo[c][1,2]oxaborol-6-yl)-5-methylisoxazole-4-carboxamide

ID: ALA5186197

Chembl Id: CHEMBL5186197

PubChem CID: 168280276

Max Phase: Preclinical

Molecular Formula: C18H14BFN2O4

Molecular Weight: 352.13

Names and Identifiers

Canonical SMILES:  Cc1onc(-c2ccc(F)cc2)c1C(=O)Nc1ccc2c(c1)B(O)OC2

Standard InChI:  InChI=1S/C18H14BFN2O4/c1-10-16(17(22-26-10)11-2-5-13(20)6-3-11)18(23)21-14-7-4-12-9-25-19(24)15(12)8-14/h2-8,24H,9H2,1H3,(H,21,23)

Standard InChI Key:  JELFHMNDZWDROS-UHFFFAOYSA-N

Alternative Forms

1. Parent:

   

   ALA5186197

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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: 352.13

Molecular Weight (Monoisotopic): 352.1031

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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