NA

ID: ALA4780117

Chembl Id: CHEMBL4780117

PubChem CID: 162662982

Max Phase: Preclinical

Molecular Formula: C79H128N24O18S2

Molecular Weight: 1766.18

Molecule Type: Unknown

Names and Identifiers

Canonical SMILES:  CC[C@H](C)[C@H](NC(=O)[C@H](CCCNC(=N)N)NC(C)=O)C(=O)N[C@H](C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H]1CCC(=O)NCCCC[C@@H](C(=O)N[C@@H](CS)C(=O)N[C@@H](CCCNC(=N)N)C(N)=O)NC(=O)[C@H](CCSC)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc2ccccc2)NC1=O)[C@@H](C)CC

Standard InChI:  InChI=1S/C79H128N24O18S2/c1-9-43(5)62(103-76(121)63(44(6)10-2)102-69(114)50(91-45(7)104)23-17-34-89-78(83)84)75(120)100-57(39-47-25-27-48(105)28-26-47)72(117)99-58(40-61(107)108)73(118)94-52(24-18-35-90-79(85)86)65(110)95-53-29-30-60(106)87-32-15-14-21-51(66(111)101-59(41-122)74(119)92-49(64(80)109)22-16-33-88-77(81)82)93-68(113)54(31-36-123-8)96-70(115)55(37-42(3)4)97-71(116)56(98-67(53)112)38-46-19-12-11-13-20-46/h11-13,19-20,25-28,42-44,49-59,62-63,105,122H,9-10,14-18,21-24,29-41H2,1-8H3,(H2,80,109)(H,87,106)(H,91,104)(H,92,119)(H,93,113)(H,94,118)(H,95,110)(H,96,115)(H,97,116)(H,98,112)(H,99,117)(H,100,120)(H,101,111)(H,102,114)(H,103,121)(H,107,108)(H4,81,82,88)(H4,83,84,89)(H4,85,86,90)/t43-,44-,49-,50-,51-,52-,53-,54-,55-,56-,57-,58-,59-,62-,63-/m0/s1

Standard InChI Key:  CURJMMDVBCSAEU-AFUKFTIKSA-N

Alternative Forms

1. Parent:

   

   ALA4780117

   ---

Molecule Features

Natural Product: No

Oral: No

Chemical Probe: No

Parenteral: No

Molecule Type: Unknown

Topical: No

First In Class: No

Black Box: No

Chirality: No

Availability: No

Prodrug: No

Calculated Properties

Molecular Weight: 1766.18

Molecular Weight (Monoisotopic): 1764.9280

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References

1. Gallagher EE,Menon A,Chmiel AF,Deprey K,Kritzer JA,Garner AL.  (2020)  A cell-penetrant lactam-stapled peptide for targeting eIF4E protein-protein interactions.,  205  [PMID:32739551] [10.1016/j.ejmech.2020.112655]

Source

Source(1):

• Scientific Literature