(3Z)-3-(3-oxobenzoselenophen-2-ylidene)-1-[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]indolin-2-one

ID: ALA5208121

Chembl Id: CHEMBL5208121

PubChem CID: 168294967

Max Phase: Preclinical

Molecular Formula: C22H19NO7Se

Molecular Weight: 488.35

Names and Identifiers

Canonical SMILES:  O=C1/C(=C2/C(=O)N([C@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]3O)c3ccccc32)[Se]c2ccccc21

Standard InChI:  InChI=1S/C22H19NO7Se/c24-9-13-17(26)18(27)19(28)22(30-13)23-12-7-3-1-5-10(12)15(21(23)29)20-16(25)11-6-2-4-8-14(11)31-20/h1-8,13,17-19,22,24,26-28H,9H2/b20-15-/t13-,17-,18+,19+,22+/m1/s1

Standard InChI Key:  YTEZQDTVWKOGBL-PGBGECKZSA-N

Alternative Forms

1. Parent:

   

   ALA5208121

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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: 488.35

Molecular Weight (Monoisotopic): 489.0327

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References

1. Wang H, Wang Z, Wei C, Wang J, Xu Y, Bai G, Yao Q, Zhang L, Chen Y..  (2021)  Anticancer potential of indirubins in medicinal chemistry: Biological activity, structural modification, and structure-activity relationship.,  223  [PMID:34161865] [10.1016/j.ejmech.2021.113652]

Source

Source(1):

• Scientific Literature