Se-(2-Cyanoethyl)2-(3-benzoylphenyl)propaneselenoate

ID: ALA5289182

Chembl Id: CHEMBL5289182

Max Phase: Preclinical

Molecular Formula: C19H17NO2Se

Molecular Weight: 370.31

Names and Identifiers

Canonical SMILES:  CC(C(=O)[Se]CCC#N)c1cccc(C(=O)c2ccccc2)c1

Standard InChI:  InChI=1S/C19H17NO2Se/c1-14(19(22)23-12-6-11-20)16-9-5-10-17(13-16)18(21)15-7-3-2-4-8-15/h2-5,7-10,13-14H,6,12H2,1H3

Standard InChI Key:  OTJJEVAKOIOWRL-UHFFFAOYSA-N

Alternative Forms

1. Parent:

   

   ALA5289182

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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: 370.31

Molecular Weight (Monoisotopic): 371.0425

AlogP:

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HBD:

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HBD (Lipinski):

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CX Acidic pKa:

CX Basic pKa:

CX LogP:

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Np Likeness Score:

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