Se-(2-Cyanoethyl)2-(1-(4-chlorobenzoyl)-5-methoxy-2-methyl-1H-indol-3-yl)ethane selenoate

ID: ALA5276335

Chembl Id: CHEMBL5276335

Max Phase: Preclinical

Molecular Formula: C22H19ClN2O3Se

Molecular Weight: 473.82

Names and Identifiers

Canonical SMILES:  COc1ccc2c(c1)c(CC(=O)[Se]CCC#N)c(C)n2C(=O)c1ccc(Cl)cc1

Standard InChI:  InChI=1S/C22H19ClN2O3Se/c1-14-18(13-21(26)29-11-3-10-24)19-12-17(28-2)8-9-20(19)25(14)22(27)15-4-6-16(23)7-5-15/h4-9,12H,3,11,13H2,1-2H3

Standard InChI Key:  BJIRSIAXBUMDJE-UHFFFAOYSA-N

Alternative Forms

1. Parent:

   

   ALA5276335

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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: 473.82

Molecular Weight (Monoisotopic): 474.0249

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CX Basic pKa:

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References

1. Ramos-Inza S, Encío I, Raza A, Sharma AK, Sanmartín C, Plano D..  (2022)  Design, synthesis and anticancer evaluation of novel Se-NSAID hybrid molecules: Identification of a Se-indomethacin analog as a potential therapeutic for breast cancer.,  244  [PMID:36257283] [10.1016/j.ejmech.2022.114839]

Source

Source(1):

• Scientific Literature