N1-((S)-1-((2S,4R)-4-hydroxy-2-(((S)-1-(4-(4-methylthiazol-5-yl)phenyl)ethyl)carbamoyl)pyrrolidin-1-yl)-3,3-dimethyl-1-oxobutan-2-yl)-N4-(7-((3-((4-methyl-2-oxo-7-(pyrimidin-2-yloxy)-2H-chromen-3-yl)methyl)phenyl)amino)-7-oxoheptyl)succinimide

ID: ALA5268074

Chembl Id: CHEMBL5268074

Max Phase: Preclinical

Molecular Formula: C55H64N8O9S

Molecular Weight: 1013.23

Names and Identifiers

Canonical SMILES:  Cc1ncsc1-c1ccc([C@H](C)NC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[C@@H](NC(=O)CCC(=O)NCCCCCCC(=O)Nc2cccc(Cc3c(C)c4ccc(Oc5ncccn5)cc4oc3=O)c2)C(C)(C)C)cc1

Standard InChI:  InChI=1S/C55H64N8O9S/c1-33-42-21-20-41(71-54-57-25-12-26-58-54)30-45(42)72-53(70)43(33)28-36-13-11-14-39(27-36)61-47(66)15-9-7-8-10-24-56-46(65)22-23-48(67)62-50(55(4,5)6)52(69)63-31-40(64)29-44(63)51(68)60-34(2)37-16-18-38(19-17-37)49-35(3)59-32-73-49/h11-14,16-21,25-27,30,32,34,40,44,50,64H,7-10,15,22-24,28-29,31H2,1-6H3,(H,56,65)(H,60,68)(H,61,66)(H,62,67)/t34-,40+,44-,50+/m0/s1

Standard InChI Key:  GPBFIKXNQRBAGL-HZQQGKLQSA-N

Alternative Forms

1. Parent:

   

   ALA5268074

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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: 1013.23

Molecular Weight (Monoisotopic): 1012.4517

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References

1. Wang C, Wang H, Zheng C, Li B, Liu Z, Zhang L, Yuan L, Xu P..  (2023)  Discovery of Coumarin-Based MEK1/2 PROTAC Effective in Human Cancer Cells.,  14  (1.0): [PMID:36655129] [10.1021/acsmedchemlett.2c00446]

Source

Source(1):

• Scientific Literature