(2S,4R)-1-((S)-2-(2-(2-(2-((3'-(((4,6-Dimethyl-2-oxo-1,2-dihydropyridin-3-yl)methyl)carbamoyl)-5'-(ethyl(tetrahydro-2H-pyran-4-yl)amino)-4'-methyl-[1,1'-biphenyl]-4-yl)oxy)ethoxy)ethoxy)acetamido)-3,3-dimethylbutanoyl)-4-hydroxy-N-(4-(4-methylthiazol-5-yl)benzyl)pyrrolidine-2-carboxamide

ID: ALA5094116

Chembl Id: CHEMBL5094116

PubChem CID: 135147439

Max Phase: Preclinical

Molecular Formula: C57H73N7O10S

Molecular Weight: 1048.32

Molecule Type: Unknown

Names and Identifiers

Canonical SMILES:  CCN(c1cc(-c2ccc(OCCOCCOCC(=O)N[C@H](C(=O)N3C[C@H](O)C[C@H]3C(=O)NCc3ccc(-c4scnc4C)cc3)C(C)(C)C)cc2)cc(C(=O)NCc2c(C)cc(C)[nH]c2=O)c1C)C1CCOCC1

Standard InChI:  InChI=1S/C57H73N7O10S/c1-9-63(43-18-20-71-21-19-43)48-28-42(27-46(37(48)4)53(67)59-31-47-35(2)26-36(3)61-54(47)68)40-14-16-45(17-15-40)74-25-24-72-22-23-73-33-50(66)62-52(57(6,7)8)56(70)64-32-44(65)29-49(64)55(69)58-30-39-10-12-41(13-11-39)51-38(5)60-34-75-51/h10-17,26-28,34,43-44,49,52,65H,9,18-25,29-33H2,1-8H3,(H,58,69)(H,59,67)(H,61,68)(H,62,66)/t44-,49+,52-/m1/s1

Standard InChI Key:  DODCRKMIDHTGAE-RMIMYVLFSA-N

Alternative Forms

1. Parent:

   

   ALA5094116

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Molecule Features

Natural Product: No

Oral: No

Chemical Probe: No

Parenteral: No

Molecule Type: Unknown

Topical: No

First In Class: No

Black Box: No

Chirality: No

Availability: No

Prodrug: No

Calculated Properties

Molecular Weight: 1048.32

Molecular Weight (Monoisotopic): 1047.5140

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References

1. Tu Y, Sun Y, Qiao S, Luo Y, Liu P, Jiang ZX, Hu Y, Wang Z, Huang P, Wen S..  (2021)  Design, Synthesis, and Evaluation of VHL-Based EZH2 Degraders to Enhance Therapeutic Activity against Lymphoma.,  64  (14.0): [PMID:34196564] [10.1021/acs.jmedchem.1c00460]

Source

Source(1):

• Scientific Literature