FKKFWKWFRRF

ID: ALA387863

PubChem CID: 44423210

Max Phase: Preclinical

Molecular Formula: C88H119N23O11

Molecular Weight: 1675.07

Molecule Type: Protein

This compound is available for customization.

Associated Items:

Bioactivity Summary Target Summary Assay Summary

Names and Identifiers

Canonical SMILES: N=C(N)NCCC[C@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCCN)NC(=O)[C@@H](N)Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(N)=O

Standard InChI: InChI=1S/C88H119N23O11/c89-42-20-17-37-66(102-77(113)63(92)47-55-25-5-1-6-26-55)78(114)103-67(38-18-21-43-90)81(117)108-73(50-58-31-11-4-12-32-58)84(120)111-74(51-59-53-100-64-35-15-13-33-61(59)64)85(121)105-68(39-19-22-44-91)82(118)110-75(52-60-54-101-65-36-16-14-34-62(60)65)86(122)109-72(49-57-29-9-3-10-30-57)83(119)106-69(40-23-45-98-87(94)95)79(115)104-70(41-24-46-99-88(96)97)80(116)107-71(76(93)112)48-56-27-7-2-8-28-56/h1-16,25-36,53-54,63,66-75,100-101H,17-24,37-52,89-92H2,(H2,93,112)(H,102,113)(H,103,114)(H,104,115)(H,105,121)(H,106,119)(H,107,116)(H,108,117)(H,109,122)(H,110,118)(H,111,120)(H4,94,95,98)(H4,96,97,99)/t63-,66-,67-,68-,69-,70-,71-,72-,73-,74-,75-/m0/s1

Standard InChI Key: ZJGCHABKTYDXBD-PZTRACQISA-N

Molfile:

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M  END

Associated Targets(non-human)

Lacticaseibacillus casei (578 Activities)

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

Streptococcus mutans (2687 Activities)

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

Streptococcus gordonii (131 Activities)

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

Streptococcus mitis (390 Activities)

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

Streptococcus sanguinis (314 Activities)

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

Streptococcus sobrinus (228 Activities)

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

Staphylococcus aureus (210822 Activities)

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

Enterococcus faecalis (29875 Activities)

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

Pseudomonas aeruginosa (123386 Activities)

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

Escherichia coli (133304 Activities)

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

Streptococcus oralis (178 Activities)

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

Streptococcus salivarius (87 Activities)

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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: 1675.07	Molecular Weight (Monoisotopic): 1673.9459	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. He J, Eckert R, Pharm T, Simanian MD, Hu C, Yarbrough DK, Qi F, Anderson MH, Shi W.. (2007) Novel synthetic antimicrobial peptides against Streptococcus mutans., 51 (4): [PMID:17296741] [10.1128/aac.01270-06]
2. He J, Yarbrough DK, Kreth J, Anderson MH, Shi W, Eckert R.. (2010) Systematic approach to optimizing specifically targeted antimicrobial peptides against Streptococcus mutans., 54 (5): [PMID:20211885] [10.1128/aac.01391-09]

FKKFWKWFRRF

Names and Identifiers

Alternative Forms

Associated Targets(non-human)

Molecule Features

Drug Indications

Mechanisms of Action

Calculated Properties

References

Source