TPQRARRRKKRF

ID: ALA500184

Chembl Id: CHEMBL500184

PubChem CID: 44584961

Max Phase: Preclinical

Molecular Formula: C68H122N30O15

Molecular Weight: 1599.92

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](Cc1ccccc1)C(=O)O

Standard InChI:  InChI=1S/C68H122N30O15/c1-37(88-53(102)42(20-10-30-83-64(73)74)92-60(109)47(26-27-50(71)100)96-61(110)49-25-15-35-98(49)62(111)51(72)38(2)99)52(101)89-43(21-11-31-84-65(75)76)56(105)93-45(23-13-33-86-67(79)80)58(107)94-44(22-12-32-85-66(77)78)57(106)91-40(18-6-8-28-69)54(103)90-41(19-7-9-29-70)55(104)95-46(24-14-34-87-68(81)82)59(108)97-48(63(112)113)36-39-16-4-3-5-17-39/h3-5,16-17,37-38,40-49,51,99H,6-15,18-36,69-70,72H2,1-2H3,(H2,71,100)(H,88,102)(H,89,101)(H,90,103)(H,91,106)(H,92,109)(H,93,105)(H,94,107)(H,95,104)(H,96,110)(H,97,108)(H,112,113)(H4,73,74,83)(H4,75,76,84)(H4,77,78,85)(H4,79,80,86)(H4,81,82,87)/t37-,38+,40-,41-,42-,43-,44-,45-,46-,47-,48-,49-,51-/m0/s1

Standard InChI Key:  SPILXWOFMWMUJL-PDUKLPMLSA-N

Alternative Forms

1. Parent:

   

   ALA500184

   Tpqrarrrkkrf

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: 1599.92

Molecular Weight (Monoisotopic): 1598.9706

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CX Basic pKa: ┄

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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