(2S,4R)-1-((S)-2-(8-(3-(3-(3-(4-(1-Aminocyclobutyl)phenyl)-2-(2-aminopyridin-3-yl)-3H-imidazo[4,5-b]pyridin-5-yl)phenyl)propanamido)octanamido)-3,3-dimethylbutanoyl)-4-hydroxy-N-(4-(4-methylthiazol-5-yl)benzyl)pyrrolidine-2-carboxamide

ID: ALA5219268

Chembl Id: CHEMBL5219268

PubChem CID: 155410734

Max Phase: Preclinical

Molecular Formula: C60H71N11O5S

Molecular Weight: 1058.37

Names and Identifiers

Canonical SMILES:  Cc1ncsc1-c1ccc(CNC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[C@@H](NC(=O)CCCCCCCNC(=O)CCc2cccc(-c3ccc4nc(-c5cccnc5N)n(-c5ccc(C6(N)CCC6)cc5)c4n3)c2)C(C)(C)C)cc1

Standard InChI:  InChI=1S/C60H71N11O5S/c1-38-52(77-37-66-38)41-20-17-40(18-21-41)35-65-57(75)49-34-45(72)36-70(49)58(76)53(59(2,3)4)69-51(74)16-8-6-5-7-9-31-63-50(73)28-19-39-13-10-14-42(33-39)47-26-27-48-56(67-47)71(55(68-48)46-15-11-32-64-54(46)61)44-24-22-43(23-25-44)60(62)29-12-30-60/h10-11,13-15,17-18,20-27,32-33,37,45,49,53,72H,5-9,12,16,19,28-31,34-36,62H2,1-4H3,(H2,61,64)(H,63,73)(H,65,75)(H,69,74)/t45-,49+,53-/m1/s1

Standard InChI Key:  ULRMGHXVPVNIJG-ILVTXYBSSA-N

Alternative Forms

1. Parent:

   

   ALA5219268

   ---

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: 1058.37

Molecular Weight (Monoisotopic): 1057.5360

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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