N1-((S)-1-((2S,4R)-4-Hydroxy-2-((4-(4-methylthiazol-5-yl)benzyl)carbamoyl)pyrrolidin-1-yl)-3,3-dimethyl-1-oxobutan-2-yl)-N10-(4-((6-(1-(2-((4-methyl-3-(trifluoromethyl)phenyl)amino)-2-oxoethyl)-1H-pyrazol-4-yl)-1H-indazol-3-yl)carbamoyl)phenyl)decanediamide

ID: ALA5265863

Chembl Id: CHEMBL5265863

Max Phase: Preclinical

Molecular Formula: C59H66F3N11O7S

Molecular Weight: 1130.31

Names and Identifiers

Canonical SMILES:  Cc1ccc(NC(=O)Cn2cc(-c3ccc4c(NC(=O)c5ccc(NC(=O)CCCCCCCCC(=O)N[C@H](C(=O)N6C[C@H](O)C[C@H]6C(=O)NCc6ccc(-c7scnc7C)cc6)C(C)(C)C)cc5)n[nH]c4c3)cn2)cc1C(F)(F)F

Standard InChI:  InChI=1S/C59H66F3N11O7S/c1-35-14-22-43(27-46(35)59(60,61)62)67-51(77)33-72-31-41(30-65-72)40-21-25-45-47(26-40)70-71-54(45)69-55(78)39-19-23-42(24-20-39)66-49(75)12-10-8-6-7-9-11-13-50(76)68-53(58(3,4)5)57(80)73-32-44(74)28-48(73)56(79)63-29-37-15-17-38(18-16-37)52-36(2)64-34-81-52/h14-27,30-31,34,44,48,53,74H,6-13,28-29,32-33H2,1-5H3,(H,63,79)(H,66,75)(H,67,77)(H,68,76)(H2,69,70,71,78)/t44-,48+,53-/m1/s1

Standard InChI Key:  OMBFZCSGOOTQOG-WDXSTBBASA-N

Alternative Forms

1. Parent:

   

   ALA5265863

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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: 1130.31

Molecular Weight (Monoisotopic): 1129.4819

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References

1. Wang XR, Wang S, Mu HX, Xu KY, Wang XT, Shi JT, Cui QH, Zhang LW, Chen SW..  (2022)  Discovery of novel VEGFR-2-PROTAC degraders based on the localization of lysine residues via recruiting VHL for the treatment of gastric cancer.,  244  [PMID:36242985] [10.1016/j.ejmech.2022.114821]

Source

Source(1):

• Scientific Literature