Methyl-2-((2-hydroxybenzoyl)selenyl)acetate

ID: ALA5287817

Chembl Id: CHEMBL5287817

Max Phase: Preclinical

Molecular Formula: C10H10O4Se

Molecular Weight: 273.15

Names and Identifiers

Canonical SMILES:  COC(=O)C[Se]C(=O)c1ccccc1O

Standard InChI:  InChI=1S/C10H10O4Se/c1-14-9(12)6-15-10(13)7-4-2-3-5-8(7)11/h2-5,11H,6H2,1H3

Standard InChI Key:  ZQXWPBLAUVFVLI-UHFFFAOYSA-N

Alternative Forms

1. Parent:

   

   ALA5287817

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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: 273.15

Molecular Weight (Monoisotopic): 273.9744

AlogP:

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Molecular Species:

HBA:

HBD:

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HBA (Lipinski):

HBD (Lipinski):

#RO5 Violations (Lipinski):

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