TPQRARRRKKRY

ID: ALA499438

Chembl Id: CHEMBL499438

PubChem CID: 44584962

Max Phase: Preclinical

Molecular Formula: C68H122N30O16

Molecular Weight: 1615.92

Molecule Type: Protein

Names and Identifiers

Canonical SMILES:  C[C@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)[C@@H](C)O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O

Standard InChI:  InChI=1S/C68H122N30O16/c1-36(88-53(103)42(15-7-29-83-64(73)74)92-60(110)47(25-26-50(71)101)96-61(111)49-20-12-34-98(49)62(112)51(72)37(2)99)52(102)89-43(16-8-30-84-65(75)76)56(106)93-45(18-10-32-86-67(79)80)58(108)94-44(17-9-31-85-66(77)78)57(107)91-40(13-3-5-27-69)54(104)90-41(14-4-6-28-70)55(105)95-46(19-11-33-87-68(81)82)59(109)97-48(63(113)114)35-38-21-23-39(100)24-22-38/h21-24,36-37,40-49,51,99-100H,3-20,25-35,69-70,72H2,1-2H3,(H2,71,101)(H,88,103)(H,89,102)(H,90,104)(H,91,107)(H,92,110)(H,93,106)(H,94,108)(H,95,105)(H,96,111)(H,97,109)(H,113,114)(H4,73,74,83)(H4,75,76,84)(H4,77,78,85)(H4,79,80,86)(H4,81,82,87)/t36-,37+,40-,41-,42-,43-,44-,45-,46-,47-,48-,49-,51-/m0/s1

Standard InChI Key:  GBWNVGJPAAAKFV-XVVOLBHMSA-N

Alternative Forms

1. Parent:

   

   ALA499438

   Tpqrarrrkkry

Molecule Features

Natural Product: No

Oral: No

Chemical Probe: No

Parenteral: No

Molecule Type: Protein

Topical: No

First In Class: No

Black Box: No

Chirality: No

Availability: No

Prodrug: No

Calculated Properties

Molecular Weight: 1615.92

Molecular Weight (Monoisotopic): 1614.9655

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References

1. Shiryaev SA, Remacle AG, Ratnikov BI, Nelson NA, Savinov AY, Wei G, Bottini M, Rega MF, Parent A, Desjardins R, Fugere M, Day R, Sabet M, Pellecchia M, Liddington RC, Smith JW, Mustelin T, Guiney DG, Lebl M, Strongin AY..  (2007)  Targeting host cell furin proprotein convertases as a therapeutic strategy against bacterial toxins and viral pathogens.,  282  (29): [PMID:17537721] [10.1074/jbc.m703847200]

Source

Source(1):

• Scientific Literature