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

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
Weight
Average: 1779.183
Monoisotopic: 1778.015752637
Chemical Formula
C90H127N27O12
Synonyms
  • Omiganan
External IDs
  • CLS001
  • CPI-226
  • MBI 226
  • MBI 594AN

Pharmacology

Indication

Investigated for use/treatment in bacterial infection and rosacea.

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Contraindications & Blackbox Warnings
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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

Adverse Effects
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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

Products

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International/Other Brands
Omigard

Categories

Drug Categories
Classification
Not classified
Affected organisms
Not Available

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
ChemSpider
17288151
ChEMBL
CHEMBL1615933

Clinical Trials

Clinical Trials
PhaseStatusPurposeConditionsCount
3CompletedPreventionBacteremia / Fungaemia / Sepsis1
3CompletedPreventionInfection2
3CompletedTreatmentRosacea3
2CompletedTreatmentAcne Vulgaris2
2CompletedTreatmentAcne / Acne Vulgaris / Propionibacterium Acnes2
2CompletedTreatmentAtopic Dermatitis2
2CompletedTreatmentCondylomata Acuminata (External)1
2CompletedTreatmentPapulopustular Rosacea (PPR)1
2CompletedTreatmentUsual Type Vulval Intraepithelial Neoplasia (uVIN)1
2RecruitingTreatmentSeborrheic Dermatitis1

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
PropertyValueSource
Water Solubility0.0111 mg/mLALOGPS
logP1.72ALOGPS
logP0.0019ChemAxon
logS-5.2ALOGPS
pKa (Strongest Basic)12.38ChemAxon
Physiological Charge5ChemAxon
Hydrogen Acceptor Count23ChemAxon
Hydrogen Donor Count25ChemAxon
Polar Surface Area646.51 Å2ChemAxon
Rotatable Bond Count49ChemAxon
Refractivity515.65 m3·mol-1ChemAxon
Polarizability188.06 Å3ChemAxon
Number of Rings10ChemAxon
Bioavailability0ChemAxon
Rule of FiveNoChemAxon
Ghose FilterNoChemAxon
Veber's RuleNoChemAxon
MDDR-like RuleYesChemAxon
Predicted ADMET Features
Not Available

Spectra

Mass Spec (NIST)
Not Available
Spectra
Not Available

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