(2S,5S,8S,11S,17S,20S,23S,26S,29S,32S,35S)-26-((1H-imidazol-5-yl)methyl)-35-((S)-5-amino-2-(2-aminoacetamido)-5-oxopentanamido)-23,32-bis(3-amino-3-oxopropyl)-8-sec-butyl-17-(2-carboxyethyl)-20-(carboxymethyl)-2-(3-guanidinopropyl)-29-(hydroxymethyl)-5,11-diisopropyl-4,7,10,13,16,19,22,25,28,31,34-undecaoxo-3,6,9,12,15,18,21,24,27,30,33-undecaazaoctatriacontane-1,38-dioic acid

ID: ALA4472590

Chembl Id: CHEMBL4472590

PubChem CID: 155536070

Max Phase: Preclinical

Molecular Formula: C64H104N22O25

Molecular Weight: 1581.66

Molecule Type: Unknown

Names and Identifiers

Canonical SMILES:  CC[C@H](C)[C@H](NC(=O)[C@@H](NC(=O)CNC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CO)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(N)=O)NC(=O)CN)C(C)C)C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)O)C(C)C

Standard InChI:  InChI=1S/C64H104N22O25/c1-7-30(6)51(62(109)85-50(29(4)5)60(107)80-37(63(110)111)9-8-20-72-64(69)70)86-61(108)49(28(2)3)84-45(92)25-73-52(99)32(13-18-46(93)94)76-58(105)39(22-48(97)98)82-55(102)34(11-16-42(67)89)79-57(104)38(21-31-24-71-27-74-31)81-59(106)40(26-87)83-56(103)35(12-17-43(68)90)77-54(101)36(14-19-47(95)96)78-53(100)33(10-15-41(66)88)75-44(91)23-65/h24,27-30,32-40,49-51,87H,7-23,25-26,65H2,1-6H3,(H2,66,88)(H2,67,89)(H2,68,90)(H,71,74)(H,73,99)(H,75,91)(H,76,105)(H,77,101)(H,78,100)(H,79,104)(H,80,107)(H,81,106)(H,82,102)(H,83,103)(H,84,92)(H,85,109)(H,86,108)(H,93,94)(H,95,96)(H,97,98)(H,110,111)(H4,69,70,72)/t30-,32-,33-,34-,35-,36-,37-,38-,39-,40-,49-,50-,51-/m0/s1

Standard InChI Key:  NPIMHQRCKGHZLZ-TUVARWSOSA-N

Alternative Forms

1. Parent:

   

   ALA4472590

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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: 1581.66

Molecular Weight (Monoisotopic): 1580.7543

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References

1. Lammi C, Sgrignani J, Roda G, Arnoldi A, Grazioso G..  (2019)  Inhibition of PCSK9^D374Y/LDLR Protein-Protein Interaction by Computationally Designed T9 Lupin Peptide.,  10  (4): [PMID:30996774] [10.1021/acsmedchemlett.8b00464]

2. Ahamad S, Bhat SA..  (2022)  Recent Update on the Development of PCSK9 Inhibitors for Hypercholesterolemia Treatment.,  65  (23.0): [PMID:36446632] [10.1021/acs.jmedchem.2c01290]

Source

Source(1):

• Scientific Literature