2-((2-(1-(4-chlorobenzoyl)-5-methoxy-2-methyl-1H-indol-3-yl)acetyl)selanyl)acetic acid

ID: ALA5279339

Chembl Id: CHEMBL5279339

Max Phase: Preclinical

Molecular Formula: C21H18ClNO5Se

Molecular Weight: 478.79

Names and Identifiers

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

Standard InChI:  InChI=1S/C21H18ClNO5Se/c1-12-16(10-20(26)29-11-19(24)25)17-9-15(28-2)7-8-18(17)23(12)21(27)13-3-5-14(22)6-4-13/h3-9H,10-11H2,1-2H3,(H,24,25)

Standard InChI Key:  BHPIKSJJLQCZQN-UHFFFAOYSA-N

Alternative Forms

1. Parent:

   

   ALA5279339

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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: 478.79

Molecular Weight (Monoisotopic): 479.0039

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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