2-(6-(((1R,2R,4S)-Bicyclo[2.2.1]heptan-2-yl)amino)-9H-purin-2-yl)benzol[d][1,2]selenazol-3(2H)-one

ID: ALA5197769

Chembl Id: CHEMBL5197769

PubChem CID: 141656143

Max Phase: Preclinical

Molecular Formula: C19H18N6OSe

Molecular Weight: 425.35

Names and Identifiers

Canonical SMILES:  O=c1c2ccccc2[se]n1-c1nc(N[C@@H]2C[C@H]3CC[C@@H]2C3)c2nc[nH]c2n1

Standard InChI:  InChI=1S/C19H18N6OSe/c26-18-12-3-1-2-4-14(12)27-25(18)19-23-16-15(20-9-21-16)17(24-19)22-13-8-10-5-6-11(13)7-10/h1-4,9-11,13H,5-8H2,(H2,20,21,22,23,24)/t10-,11+,13+/m0/s1

Standard InChI Key:  XBRSWONRPDLSLR-DMDPSCGWSA-N

Alternative Forms

1. Parent:

   

   ALA5197769

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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: 425.35

Molecular Weight (Monoisotopic): 426.0707

AlogP:

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CX Acidic pKa:

CX Basic pKa:

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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