N-((1r,3r)-3-(3-chloro-4-cyanophenoxy)-2,2,4,4-tetramethylcyclobutyl)-2-(9-(((S)-1-((2S,4R)-4-hydroxy-2-((4-(4-methylthiazol-5-yl)benzyl)carbamoyl)pyrrolidin-1-yl)-3,3-dimethyl-1-oxobutan-2-yl)amino)-9-oxononyl)-1-oxoisoindoline-5-carboxamide

ID: ALA5175414

Chembl Id: CHEMBL5175414

PubChem CID: 168274046

Max Phase: Preclinical

Molecular Formula: C55H68ClN7O7S

Molecular Weight: 1006.71

Names and Identifiers

Canonical SMILES:  Cc1ncsc1-c1ccc(CNC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[C@@H](NC(=O)CCCCCCCCN2Cc3cc(C(=O)N[C@H]4C(C)(C)[C@H](Oc5ccc(C#N)c(Cl)c5)C4(C)C)ccc3C2=O)C(C)(C)C)cc1

Standard InChI:  InChI=1S/C55H68ClN7O7S/c1-33-45(71-32-59-33)35-18-16-34(17-19-35)29-58-48(67)43-26-39(64)31-63(43)50(69)46(53(2,3)4)60-44(65)15-13-11-9-10-12-14-24-62-30-38-25-36(21-23-41(38)49(62)68)47(66)61-51-54(5,6)52(55(51,7)8)70-40-22-20-37(28-57)42(56)27-40/h16-23,25,27,32,39,43,46,51-52,64H,9-15,24,26,29-31H2,1-8H3,(H,58,67)(H,60,65)(H,61,66)/t39-,43+,46-,51-,52-/m1/s1

Standard InChI Key:  YJGCMQPCZARUGX-OBTJNXJXSA-N

Alternative Forms

1. Parent:

   

   ALA5175414

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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: 1006.71

Molecular Weight (Monoisotopic): 1005.4589

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References

1. Guo L, Zhou Y, Nie X, Zhang Z, Zhang Z, Li C, Wang T, Tang W..  (2022)  A platform for the rapid synthesis of proteolysis targeting chimeras (Rapid-TAC) under miniaturized conditions.,  236  [PMID:35397401] [10.1016/j.ejmech.2022.114317]

Source

Source(1):

• Scientific Literature