Se-(Cyanomethyl)-(S)-2-(6-methoxynaphthalen-2-yl)propaneselenoate

ID: ALA5269687

Chembl Id: CHEMBL5269687

Max Phase: Preclinical

Molecular Formula: C16H15NO2Se

Molecular Weight: 332.26

Names and Identifiers

Canonical SMILES:  COc1ccc2cc([C@H](C)C(=O)[Se]CC#N)ccc2c1

Standard InChI:  InChI=1S/C16H15NO2Se/c1-11(16(18)20-8-7-17)12-3-4-14-10-15(19-2)6-5-13(14)9-12/h3-6,9-11H,8H2,1-2H3/t11-/m0/s1

Standard InChI Key:  QOMBNXGLYICJSE-NSHDSACASA-N

Alternative Forms

1. Parent:

   

   ALA5269687

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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: 332.26

Molecular Weight (Monoisotopic): 333.0268

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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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