N-(3-(3-(4-(1-Aminocyclobutyl)phenyl)-2-(2-aminopyridin-3-yl)-3H-imidazo[4,5-b]pyridin-5-yl)phenethyl)-1-((2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindolin-4-yl)amino)-3,6,9,12,15-pentaoxaoctadecan-18-amide

ID: ALA5219855

Chembl Id: CHEMBL5219855

PubChem CID: 155410621

Max Phase: Preclinical

Molecular Formula: C55H62N10O10

Molecular Weight: 1023.16

Names and Identifiers

Canonical SMILES:  Nc1ncccc1-c1nc2ccc(-c3cccc(CCNC(=O)CCOCCOCCOCCOCCOCCNc4cccc5c4C(=O)N(C4CCC(=O)NC4=O)C5=O)c3)nc2n1-c1ccc(C2(N)CCC2)cc1

Standard InChI:  InChI=1S/C55H62N10O10/c56-49-41(8-3-22-60-49)50-62-44-15-14-42(61-51(44)64(50)39-12-10-38(11-13-39)55(57)20-4-21-55)37-6-1-5-36(35-37)18-23-59-46(66)19-25-71-27-29-73-31-33-75-34-32-74-30-28-72-26-24-58-43-9-2-7-40-48(43)54(70)65(53(40)69)45-16-17-47(67)63-52(45)68/h1-3,5-15,22,35,45,58H,4,16-21,23-34,57H2,(H2,56,60)(H,59,66)(H,63,67,68)

Standard InChI Key:  GSRDTZPZXZEEGG-UHFFFAOYSA-N

Alternative Forms

1. Parent:

   

   ALA5219855

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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: 1023.16

Molecular Weight (Monoisotopic): 1022.4650

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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