RLARIVVIRVAG-NH2

ID: ALA538206

PubChem CID: 45273105

Max Phase: Preclinical

Molecular Formula: C59H112N22O12

Molecular Weight: 1321.69

Molecule Type: Protein

This compound is available for customization.

Associated Items:

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)N[C@H](C(=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)NCC(N)=O)C(C)C)[C@@H](C)CC)C(C)C)C(C)C

Standard InChI:  InChI=1S/C59H112N22O12/c1-15-32(11)44(55(92)75-38(22-19-25-70-59(66)67)49(86)77-41(29(5)6)52(89)73-34(13)46(83)71-27-40(61)82)81-54(91)43(31(9)10)78-53(90)42(30(7)8)79-56(93)45(33(12)16-2)80-50(87)37(21-18-24-69-58(64)65)74-47(84)35(14)72-51(88)39(26-28(3)4)76-48(85)36(60)20-17-23-68-57(62)63/h28-39,41-45H,15-27,60H2,1-14H3,(H2,61,82)(H,71,83)(H,72,88)(H,73,89)(H,74,84)(H,75,92)(H,76,85)(H,77,86)(H,78,90)(H,79,93)(H,80,87)(H,81,91)(H4,62,63,68)(H4,64,65,69)(H4,66,67,70)/t32-,33-,34-,35-,36-,37-,38-,39-,41-,42-,43-,44-,45-/m0/s1

Standard InChI Key:  ULUCZNUUUYEMTH-XWTRIGCWSA-N

Molfile:  

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M  END

Alternative Forms

Associated Targets(non-human)

Salmonella enterica subsp. enterica (623 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
phoQ Virulence sensor histidine kinase phoQ (45 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: 1321.69Molecular Weight (Monoisotopic): 1320.8830AlogP: #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]

Source