N1-(5-((2-fluoro-3-((4-methyl-2-oxo-7-(pyrimidin-2-yloxy)-2H-chromen-3-yl)methyl)phenyl)amino)-5-oxopentyl)-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: ALA5280597

Chembl Id: CHEMBL5280597

Max Phase: Preclinical

Molecular Formula: C53H59FN8O9S

Molecular Weight: 1003.17

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)NCCCCC(=O)Nc2cccc(Cc3c(C)c4ccc(Oc5ncccn5)cc4oc3=O)c2F)C(C)(C)C)cc1

Standard InChI:  InChI=1S/C53H59FN8O9S/c1-30-38-19-18-37(70-52-56-23-10-24-57-52)27-42(38)71-51(69)39(30)25-35-11-9-12-40(46(35)54)60-44(65)13-7-8-22-55-43(64)20-21-45(66)61-48(53(4,5)6)50(68)62-28-36(63)26-41(62)49(67)59-31(2)33-14-16-34(17-15-33)47-32(3)58-29-72-47/h9-12,14-19,23-24,27,29,31,36,41,48,63H,7-8,13,20-22,25-26,28H2,1-6H3,(H,55,64)(H,59,67)(H,60,65)(H,61,66)/t31-,36+,41-,48+/m0/s1

Standard InChI Key:  LMAPKIKMRRTUGC-QXXUAEQASA-N

Alternative Forms

1. Parent:

   

   ALA5280597

   ---

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: 1003.17

Molecular Weight (Monoisotopic): 1002.4110

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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