RLARIVPIRVAR-NH2

ID: ALA563126

PubChem CID: 45272246

Max Phase: Preclinical

Molecular Formula: C63H119N25O12

Molecular Weight: 1418.81

Molecule Type: Protein

This compound is available for customization.

Associated Items:

Bioactivity Summary Target Summary Assay Summary

Names and Identifiers

Canonical SMILES: CC[C@H](C)[C@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](N)CCCNC(=N)N)C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(=N)N)C(N)=O)C(C)C)[C@@H](C)CC)C(C)C

Standard InChI: InChI=1S/C63H119N25O12/c1-13-34(9)46(57(98)82-41(23-18-28-77-63(72)73)52(93)84-44(32(5)6)56(97)79-37(12)49(90)80-39(48(65)89)21-16-26-75-61(68)69)87-55(96)43-24-19-29-88(43)59(100)45(33(7)8)85-58(99)47(35(10)14-2)86-53(94)40(22-17-27-76-62(70)71)81-50(91)36(11)78-54(95)42(30-31(3)4)83-51(92)38(64)20-15-25-74-60(66)67/h31-47H,13-30,64H2,1-12H3,(H2,65,89)(H,78,95)(H,79,97)(H,80,90)(H,81,91)(H,82,98)(H,83,92)(H,84,93)(H,85,99)(H,86,94)(H,87,96)(H4,66,67,74)(H4,68,69,75)(H4,70,71,76)(H4,72,73,77)/t34-,35-,36-,37-,38-,39-,40-,41-,42-,43-,44-,45-,46-,47-/m0/s1

Standard InChI Key: SZCGUFUTWDWPDP-CJMCYECYSA-N

Molfile:

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M  END

Associated Targets(non-human)

Salmonella enterica subsp. enterica (623 Activities)

Explore this target

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

phoQ Virulence sensor histidine kinase phoQ (45 Activities)

Discover Target: phoQ

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Pseudomonas aeruginosa (123386 Activities)

Explore this target

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Luciferin 4-monooxygenase (66902 Activities)

Explore this target

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

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

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: 1418.81	Molecular Weight (Monoisotopic): 1417.9470	AlogP: ┄	#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. Kindrachuk J, Paur N, Reiman C, Scruten E, Napper S.. (2007) The PhoQ-activating potential of antimicrobial peptides contributes to antimicrobial efficacy and is predictive of the induction of bacterial resistance., 51 (12): [PMID:17938183] [10.1128/aac.00854-07]
2. Hilpert K, McLeod B, Yu J, Elliott MR, Rautenbach M, Ruden S, Bürck J, Muhle-Goll C, Ulrich AS, Keller S, Hancock RE.. (2010) Short cationic antimicrobial peptides interact with ATP., 54 (10): [PMID:20660668] [10.1128/aac.01664-09]

RLARIVPIRVAR-NH2

Names and Identifiers

Alternative Forms

Associated Targets(non-human)

Molecule Features

Drug Indications

Mechanisms of Action

Calculated Properties

References

Source