Arg-Pro-Gly-Leu-Pro-Val-Arg-Phe-Glu-Ser-Pro-Leu-NH2

ID: ALA3600571

Chembl Id: CHEMBL3600571

PubChem CID: 122184365

Max Phase: Preclinical

Molecular Formula: C63H103N19O15

Molecular Weight: 1366.63

Molecule Type: Protein

Associated Items:

Names and Identifiers

Canonical SMILES:  CC(C)C[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CO)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CCCNC(=N)N)C(C)C)C(N)=O

Standard InChI:  InChI=1S/C63H103N19O15/c1-34(2)29-41(51(65)87)76-56(92)46-20-13-28-82(46)61(97)44(33-83)78-53(89)40(22-23-49(85)86)74-54(90)42(31-37-15-8-7-9-16-37)77-52(88)39(18-11-25-71-63(68)69)75-58(94)50(36(5)6)79-57(93)47-21-14-27-81(47)60(96)43(30-35(3)4)73-48(84)32-72-55(91)45-19-12-26-80(45)59(95)38(64)17-10-24-70-62(66)67/h7-9,15-16,34-36,38-47,50,83H,10-14,17-33,64H2,1-6H3,(H2,65,87)(H,72,91)(H,73,84)(H,74,90)(H,75,94)(H,76,92)(H,77,88)(H,78,89)(H,79,93)(H,85,86)(H4,66,67,70)(H4,68,69,71)/t38-,39-,40-,41-,42-,43-,44-,45-,46-,47-,50-/m0/s1

Standard InChI Key:  QGPVCBRPRWDPAH-XYMOVTAWSA-N

Alternative Forms

  1. Parent:

    ALA3600571

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Associated Targets(non-human)

Plasmodium falciparum (966862 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Plasmodium gallinaceum (527 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: 1366.63Molecular Weight (Monoisotopic): 1365.7881AlogP: #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. Silva AF, Alves FL, Pedron CN, Torres MD, Silva LS, Pinheiro AA, Miranda A, Oliveira VX..  (2015)  Anti-plasmodial activity of bradykinin and analogs.,  25  (16): [PMID:26077496] [10.1016/j.bmcl.2015.05.071]

Source