(S)-2-(6-((Tetrahydroselenophen-3-yl)amino)-9H-purin-2-yl)-isoindolin-1-one

ID: ALA5198734

Chembl Id: CHEMBL5198734

PubChem CID: 168287779

Max Phase: Preclinical

Molecular Formula: C17H16N6OSe

Molecular Weight: 399.32

Names and Identifiers

Canonical SMILES:  O=C1c2ccccc2CN1c1nc(N[C@H]2CC[Se]C2)c2nc[nH]c2n1

Standard InChI:  InChI=1S/C17H16N6OSe/c24-16-12-4-2-1-3-10(12)7-23(16)17-21-14-13(18-9-19-14)15(22-17)20-11-5-6-25-8-11/h1-4,9,11H,5-8H2,(H2,18,19,20,21,22)/t11-/m0/s1

Standard InChI Key:  QEWQUVFCQHBNFU-NSHDSACASA-N

Alternative Forms

1. Parent:

   

   ALA5198734

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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: 399.32

Molecular Weight (Monoisotopic): 400.0551

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References

1. Bijian K, Wernic D, Nivedha AK, Su J, Lim FPL, Miron CE, Amzil H, Moitessier N, Alaoui-Jamali MA..  (2022)  Novel Aurora A and Protein Kinase C (α, β1, β2, and θ) Multitarget Inhibitors: Impact of Selenium Atoms on the Potency and Selectivity.,  65  (4.0): [PMID:35167283] [10.1021/acs.jmedchem.1c01031]

Source

Source(1):

• Scientific Literature