ID: ALA5276466

Chembl Id: CHEMBL5276466

Max Phase: Preclinical

Molecular Formula: C58H64Cl3F2N9O7S

Molecular Weight: 1175.63

Names and Identifiers

Canonical SMILES:  COc1cc(C(=O)NCCOCCOCCOCCNC(=O)C[C@@H]2N=C(c3ccc(Cl)cc3)C3C(C)=C(C)SC3n3c(C)nnc32)ccc1NC(=O)[C@@H]1N[C@@H](CC(C)(C)C)[C@](C#N)(c2ccc(Cl)cc2F)[C@H]1c1cccc(Cl)c1F

Standard InChI:  InChI=1S/C58H64Cl3F2N9O7S/c1-32-33(2)80-56-48(32)51(35-11-14-37(59)15-12-35)67-44(53-71-70-34(3)72(53)56)29-47(73)65-19-21-77-23-25-79-26-24-78-22-20-66-54(74)36-13-18-43(45(27-36)76-7)68-55(75)52-49(39-9-8-10-41(61)50(39)63)58(31-64,46(69-52)30-57(4,5)6)40-17-16-38(60)28-42(40)62/h8-18,27-28,44,46,48-49,52,56,69H,19-26,29-30H2,1-7H3,(H,65,73)(H,66,74)(H,68,75)/t44-,46-,48?,49-,52+,56?,58-/m0/s1

Standard InChI Key:  BNZPIOIZYQQAGO-FRIGAMKBSA-N

Alternative Forms

1. Parent:

   

   ALA5276466

   ---

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: 1175.63

Molecular Weight (Monoisotopic): 1173.3683

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References

1. Zhou X, Dong R, Zhang JY, Zheng X, Sun LP..  (2020)  PROTAC: A promising technology for cancer treatment.,  203  [PMID:32698111] [10.1016/j.ejmech.2020.112539]

Source

Source(1):

• Scientific Literature