TPQRARRRKKRT

ID: ALA455792

Chembl Id: CHEMBL455792

PubChem CID: 44584953

Max Phase: Preclinical

Molecular Formula: C63H120N30O16

Molecular Weight: 1553.85

Molecule Type: Protein

Associated Items:

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](C(=O)O)[C@@H](C)O

Standard InChI:  InChI=1S/C63H120N30O16/c1-32(83-48(98)37(16-8-26-78-59(68)69)87-54(104)42(22-23-44(66)96)91-56(106)43-21-13-31-93(43)57(107)45(67)33(2)94)47(97)84-38(17-9-27-79-60(70)71)51(101)88-40(19-11-29-81-62(74)75)53(103)89-39(18-10-28-80-61(72)73)52(102)86-35(14-4-6-24-64)49(99)85-36(15-5-7-25-65)50(100)90-41(20-12-30-82-63(76)77)55(105)92-46(34(3)95)58(108)109/h32-43,45-46,94-95H,4-31,64-65,67H2,1-3H3,(H2,66,96)(H,83,98)(H,84,97)(H,85,99)(H,86,102)(H,87,104)(H,88,101)(H,89,103)(H,90,100)(H,91,106)(H,92,105)(H,108,109)(H4,68,69,78)(H4,70,71,79)(H4,72,73,80)(H4,74,75,81)(H4,76,77,82)/t32-,33+,34+,35-,36-,37-,38-,39-,40-,41-,42-,43-,45-,46-/m0/s1

Standard InChI Key:  RYVHKZGUULZSGD-PDFWZIBUSA-N

Alternative Forms

  1. Parent:

    ALA455792

    Tpqrarrrkkrt

Associated Targets(Human)

FURIN Tchem Furin (909 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
PCSK4 Tbio Subtilisin/kexin type 4 (6 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
PCSK5 Tchem Subtilisin/kexin type 5 (16 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
PCSK7 Tchem Subtilisin/kexin type 7 (37 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID

Associated Targets(non-human)

Pcsk6 Proprotein convertase subtilisin/kexin type 6 (7 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID

Molecule Features

Natural Product: NoOral: NoChemical Probe: NoParenteral: No
Molecule Type: ProteinTopical: NoFirst In Class: NoBlack Box: No
Chirality: NoAvailability: NoProdrug: No

Drug Indications

MESH IDMESH Heading EFO IDsEFO TermsMax Phase for IndicationReferences

Mechanisms of Action

Mechanism of ActionAction Typetarget IDTarget NameTarget TypeTarget OrganismBinding Site NameReferences

Calculated Properties

Molecular Weight: 1553.85Molecular Weight (Monoisotopic): 1552.9499AlogP: #Rotatable Bonds:
Polar Surface Area: Molecular Species: HBA: HBD:
#RO5 Violations: HBA (Lipinski): HBD (Lipinski): #RO5 Violations (Lipinski):
CX Acidic pKa: CX Basic pKa: CX LogP: CX LogD:
Aromatic Rings: Heavy Atoms: QED Weighted: Np Likeness Score:

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