Omiganan

This drug entry is a stub and has not been fully annotated. It is scheduled to be annotated soon.

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Identification

Generic Name

Omiganan

DrugBank Accession Number

DB06610

Background

Omiganan has been investigated for the treatment of Mupirocin-resistant MRSA skin infections.

Type

Small Molecule

Groups

Investigational

Structure

Similar Structures

Weight: Average: 1779.183
Monoisotopic: 1778.015752637
Chemical Formula: C₉₀H₁₂₇N₂₇O₁₂

Synonyms

Omiganan

External IDs

CLS001
CPI-226
MBI 226
MBI 594AN

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Pharmacology

Indication: Investigated for use/treatment in bacterial infection and rosacea.

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Pharmacodynamics: Not Available
Mechanism of action: Not Available
Absorption: Not Available
Volume of distribution: Not Available
Protein binding: Not Available
Metabolism: Not Available
Route of elimination: Not Available
Half-life: Not Available
Clearance: Not Available
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Toxicity: Not Available
Pathways: Not Available
Pharmacogenomic Effects/ADRs: Not Available

Interactions

Drug Interactions: This information should not be interpreted without the help of a healthcare provider. If you believe you are experiencing an interaction, contact a healthcare provider immediately. The absence of an interaction does not necessarily mean no interactions exist.
Not Available
Food Interactions: Not Available

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International/Other Brands: Omigard

Chemical Identifiers

UNII: 618SLL9VBS
CAS number: 204248-78-2
InChI Key: MVPAMLBUDIFYGK-BHDRXCTLSA-N
InChI: InChI=1S/C90H127N27O12/c1-5-51(4)75(92)85(127)113-68(41-50(2)3)80(122)109-67(32-18-38-102-90(98)99)79(121)114-71(44-54-48-105-62-27-12-8-23-58(54)62)86(128)116-39-19-34-74(116)84(126)112-70(43-53-47-104-61-26-11-7-22-57(53)61)82(124)115-72(45-55-49-106-63-28-13-9-24-59(55)63)87(129)117-40-20-33-73(117)83(125)111-69(42-52-46-103-60-25-10-6-21-56(52)60)81(123)110-66(31-17-37-101-89(96)97)78(120)108-65(30-16-36-100-88(94)95)77(119)107-64(76(93)118)29-14-15-35-91/h6-13,21-28,46-51,64-75,103-106H,5,14-20,29-45,91-92H2,1-4H3,(H2,93,118)(H,107,119)(H,108,120)(H,109,122)(H,110,123)(H,111,125)(H,112,126)(H,113,127)(H,114,121)(H,115,124)(H4,94,95,100)(H4,96,97,101)(H4,98,99,102)/t51-,64-,65-,66-,67-,68-,69-,70-,71-,72-,73-,74-,75-/m0/s1
IUPAC Name: (2S)-6-amino-2-[(2S)-2-[(2S)-2-[(2S)-2-{[(2S)-1-[(2S)-2-[(2S)-2-{[(2S)-1-[(2S)-2-[(2S)-2-[(2S)-2-[(2S,3S)-2-amino-3-methylpentanamido]-4-methylpentanamido]-5-carbamimidamidopentanamido]-3-(1H-indol-3-yl)propanoyl]pyrrolidin-2-yl]formamido}-3-(1H-indol-3-yl)propanamido]-3-(1H-indol-3-yl)propanoyl]pyrrolidin-2-yl]formamido}-3-(1H-indol-3-yl)propanamido]-5-carbamimidamidopentanamido]-5-carbamimidamidopentanamido]hexanamide
SMILES: [H]N=C(N([H])[H])N([H])CCC[C@H](N([H])C(=O)[C@H](CCCN([H])C(=N[H])N([H])[H])N([H])C(=O)[C@H](CC1=CN([H])C2=CC=CC=C12)N([H])C(=O)[C@@H]1CCCN1C(=O)[C@H](CC1=CN([H])C2=CC=CC=C12)N([H])C(=O)[C@H](CC1=CN([H])C2=CC=CC=C12)N([H])C(=O)[C@@H]1CCCN1C(=O)[C@H](CC1=CN([H])C2=CC=CC=C12)N([H])C(=O)[C@H](CCCN([H])C(=N[H])N([H])[H])N([H])C(=O)[C@H](CC(C)C)N([H])C(=O)[C@@H](N([H])[H])[C@@H](C)CC)C(=O)N([H])[C@@H](CCCCN([H])[H])C(=O)N([H])[H]

References

General References

Not Available

External Links

ChemSpider: 17288151
ChEMBL: CHEMBL1615933

Clinical Trials

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Phase	Status	Purpose	Conditions	Count	Start Date	Why Stopped	100+ additional columns
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3	Completed	Prevention	Bacteremia / Fungaemia / Sepsis	1	somestatus	stop reason	just information to hide
3	Completed	Prevention	Infection	2	somestatus	stop reason	just information to hide
3	Completed	Treatment	Rosacea	3	somestatus	stop reason	just information to hide
2	Completed	Treatment	Acne Vulgaris	2	somestatus	stop reason	just information to hide
2	Completed	Treatment	Acne / Acne Vulgaris / Propionibacterium Acnes	2	somestatus	stop reason	just information to hide

Pharmacoeconomics

Manufacturers: Not Available
Packagers: Not Available
Dosage Forms: Not Available
Prices: Not Available
Patents: Not Available

Properties

State

Solid

Experimental Properties

Not Available

Predicted Properties

Property	Value	Source
Water Solubility	0.0111 mg/mL	ALOGPS
logP	1.72	ALOGPS
logP	0.0019	Chemaxon
logS	-5.2	ALOGPS
pKa (Strongest Basic)	12.38	Chemaxon
Physiological Charge	5	Chemaxon
Hydrogen Acceptor Count	23	Chemaxon
Hydrogen Donor Count	25	Chemaxon
Polar Surface Area	646.51 Å²	Chemaxon
Rotatable Bond Count	49	Chemaxon
Refractivity	515.65 m³·mol^-1	Chemaxon
Polarizability	188.06 Å³	Chemaxon
Number of Rings	10	Chemaxon
Bioavailability	0	Chemaxon
Rule of Five	No	Chemaxon
Ghose Filter	No	Chemaxon
Veber's Rule	No	Chemaxon
MDDR-like Rule	Yes	Chemaxon

Predicted ADMET Features

Not Available

Spectra

Mass Spec (NIST)

Not Available

Spectra

Spectrum	Spectrum Type	Splash Key
Predicted MS/MS Spectrum - 10V, Positive (Annotated)	Predicted LC-MS/MS	splash10-03di-0000001900-0b946b0e94f37877e529
Predicted MS/MS Spectrum - 10V, Negative (Annotated)	Predicted LC-MS/MS	splash10-057l-2010001900-e8cb258a6fc0dd08c9f5
Predicted MS/MS Spectrum - 20V, Positive (Annotated)	Predicted LC-MS/MS	splash10-03xr-9220014600-afca6e82f08870742952
Predicted MS/MS Spectrum - 20V, Negative (Annotated)	Predicted LC-MS/MS	splash10-0btm-1100009400-319c7e53d708e8f079fe
Predicted MS/MS Spectrum - 40V, Positive (Annotated)	Predicted LC-MS/MS	splash10-001i-9211075400-716cc3f662e322b5a722
Predicted MS/MS Spectrum - 40V, Negative (Annotated)	Predicted LC-MS/MS	splash10-0537-7452129500-5dd2ab9387f849a3ee26

Chromatographic Properties

Collision Cross Sections (CCS)

Not Available

Drug created at March 19, 2008 16:40 / Updated at February 21, 2021 18:52

Omiganan

Identification

Structure for Omiganan (DB06610)

Pharmacology

Interactions

Products

Categories

Chemical Identifiers

References

Clinical Trials

Clinical Trial & Rare Diseases Add-on Data Package

Pharmacoeconomics

Properties

Spectra

Collision Cross Sections (CCS)