(2S,4R)-1-((S)-2-(3-(3-((3-(3-(4-(1-Aminocyclobutyl)phenyl)-2-(2-aminopyridin-3-yl)-3H-imidazo[4,5-b]pyridin-5-yl)phenethyl)amino)-3-oxopropoxy)propanamido)-3,3-dimethylbutanoyl)-4-hydroxy-N-(4-(4-methylthiazol-5-yl)benzyl)pyrrolidine-2-carboxamide

ID: ALA5218930

Chembl Id: CHEMBL5218930

PubChem CID: 155410832

Max Phase: Preclinical

Molecular Formula: C57H65N11O6S

Molecular Weight: 1032.28

Names and Identifiers

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

Standard InChI:  InChI=1S/C57H65N11O6S/c1-35-49(75-34-63-35)38-13-11-37(12-14-38)32-62-54(72)46-31-42(69)33-67(46)55(73)50(56(2,3)4)66-48(71)23-29-74-28-22-47(70)60-27-21-36-8-5-9-39(30-36)44-19-20-45-53(64-44)68(52(65-45)43-10-6-26-61-51(43)58)41-17-15-40(16-18-41)57(59)24-7-25-57/h5-6,8-20,26,30,34,42,46,50,69H,7,21-25,27-29,31-33,59H2,1-4H3,(H2,58,61)(H,60,70)(H,62,72)(H,66,71)/t42-,46+,50-/m1/s1

Standard InChI Key:  VZRMCCGMVGCEQO-UEAHGJSOSA-N

Alternative Forms

1. Parent:

   

   ALA5218930

   ---

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: 1032.28

Molecular Weight (Monoisotopic): 1031.4840

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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