2-(6(((1R,2R,3R,55)-2,6,6-Trimethylbicydo[3.1.1]heptan-3-yl)-amino)-9H-purin-2-yl)benzo[d][1,2]selenazol-3(2H)-one

ID: ALA5204938

Chembl Id: CHEMBL5204938

PubChem CID: 141656148

Max Phase: Preclinical

Molecular Formula: C22H24N6OSe

Molecular Weight: 467.44

Names and Identifiers

Canonical SMILES:  C[C@@H]1[C@H]2C[C@@H](C[C@H]1Nc1nc(-n3[se]c4ccccc4c3=O)nc3[nH]cnc13)C2(C)C

Standard InChI:  InChI=1S/C22H24N6OSe/c1-11-14-8-12(22(14,2)3)9-15(11)25-19-17-18(24-10-23-17)26-21(27-19)28-20(29)13-6-4-5-7-16(13)30-28/h4-7,10-12,14-15H,8-9H2,1-3H3,(H2,23,24,25,26,27)/t11-,12+,14-,15-/m1/s1

Standard InChI Key:  JSHRVUCFHYVTFC-AYRXBEOTSA-N

Alternative Forms

1. Parent:

   

   ALA5204938

   ---

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: 467.44

Molecular Weight (Monoisotopic): 468.1177

AlogP:

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CX Acidic 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