N1-(7-((2-fluoro-3-((4-methyl-2-oxo-7-(pyrimidin-2-yloxy)-2H-chromen-3-yl)methyl)phenyl)amino)-7-oxoheptyl)-N4-((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)succinamide

ID: ALA5286095

Chembl Id: CHEMBL5286095

Max Phase: Preclinical

Molecular Formula: C55H63FN8O9S

Molecular Weight: 1031.22

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)c2F)C(C)(C)C)cc1

Standard InChI:  InChI=1S/C55H63FN8O9S/c1-32-40-21-20-39(72-54-58-25-12-26-59-54)29-44(40)73-53(71)41(32)27-37-13-11-14-42(48(37)56)62-46(67)15-9-7-8-10-24-57-45(66)22-23-47(68)63-50(55(4,5)6)52(70)64-30-38(65)28-43(64)51(69)61-33(2)35-16-18-36(19-17-35)49-34(3)60-31-74-49/h11-14,16-21,25-26,29,31,33,38,43,50,65H,7-10,15,22-24,27-28,30H2,1-6H3,(H,57,66)(H,61,69)(H,62,67)(H,63,68)/t33-,38+,43-,50+/m0/s1

Standard InChI Key:  NVXWJOCZKBROBZ-PVXZNLFHSA-N

Alternative Forms

1. Parent:

   

   ALA5286095

   ---

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: 1031.22

Molecular Weight (Monoisotopic): 1030.4423

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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