(2S,4R)-1-((S)-17-(3-(3-(4-(1-Aminocyclobutyl)phenyl)-2-(2-aminopyridin-3-yl)-3H-imidazo[4,5-b]pyridin-5-yl)phenyl)-2-(tert-butyl)-4,14-dioxo-6,9,12-trioxa-3,15-diazaheptadecanoyl)-4-hydroxy-N-(4-(4-methylthiazol-5-yl)benzyl)pyrrolidine-2-carboxamide

ID: ALA5219023

Chembl Id: CHEMBL5219023

PubChem CID: 155410601

Max Phase: Preclinical

Molecular Formula: C59H69N11O8S

Molecular Weight: 1092.34

Names and Identifiers

Canonical SMILES:  Cc1ncsc1-c1ccc(CNC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[C@@H](NC(=O)COCCOCCOCC(=O)NCCc2cccc(-c3ccc4nc(-c5cccnc5N)n(-c5ccc(C6(N)CCC6)cc5)c4n3)c2)C(C)(C)C)cc1

Standard InChI:  InChI=1S/C59H69N11O8S/c1-37-51(79-36-65-37)40-13-11-39(12-14-40)32-64-56(74)48-31-44(71)33-69(48)57(75)52(58(2,3)4)68-50(73)35-78-29-27-76-26-28-77-34-49(72)62-25-21-38-8-5-9-41(30-38)46-19-20-47-55(66-46)70(54(67-47)45-10-6-24-63-53(45)60)43-17-15-42(16-18-43)59(61)22-7-23-59/h5-6,8-20,24,30,36,44,48,52,71H,7,21-23,25-29,31-35,61H2,1-4H3,(H2,60,63)(H,62,72)(H,64,74)(H,68,73)/t44-,48+,52-/m1/s1

Standard InChI Key:  DMHGIJBKTKDDLR-CPKYMOPRSA-N

Alternative Forms

1. Parent:

   

   ALA5219023

   ---

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: 1092.34

Molecular Weight (Monoisotopic): 1091.5051

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References

1. Yu X, Xu J, Cahuzac KM, Xie L, Shen Y, Chen X, Liu J, Parsons RE, Jin J..  (2022)  Novel Allosteric Inhibitor-Derived AKT Proteolysis Targeting Chimeras (PROTACs) Enable Potent and Selective AKT Degradation in KRAS/BRAF Mutant Cells.,  65  (20.0): [PMID:36197750] [10.1021/acs.jmedchem.2c01454]

Source

Source(1):

• Scientific Literature