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

Identification

Generic Name
Reltecimod
DrugBank Accession Number
DB16687
Background

Reltecimod is under investigation in clinical trial NCT02469857 (Phase III Efficacy and Safety Study of AB103 in the Treatment of Patients With Necrotizing Soft Tissue Infections).

Type
Small Molecule
Groups
Investigational
Structure
Weight
Average: 1037.2
Monoisotopic: 1036.489932832
Chemical Formula
C46H72N10O15S
Synonyms
  • D-alanyl-L-seryl-L-prolyl-L-methionyl-L-leucyl-L-valyl-L-alanyl-L-tyrosyl-L-aspartyl-D-alanine
External IDs
  • AB-103
  • AB103

Pharmacology

Indication

Not Available

Reduce drug development failure rates
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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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Product Ingredients
IngredientUNIICASInChI Key
Reltecimod sodium4F6G4PH43M1943755-99-4GQYCKGDMCOZFKT-CHDMJDELSA-M

Categories

Drug Categories
Classification
Not classified
Affected organisms
Not Available

Chemical Identifiers

UNII
U00J02UY29
CAS number
1447799-33-8
InChI Key
VRNHFZYMPDKTBS-WYUJEMNCSA-N
InChI
InChI=1S/C46H72N10O15S/c1-22(2)18-30(52-39(63)29(15-17-72-8)50-43(67)34-10-9-16-56(34)45(69)33(21-57)54-37(61)24(5)47)42(66)55-36(23(3)4)44(68)48-25(6)38(62)51-31(19-27-11-13-28(58)14-12-27)41(65)53-32(20-35(59)60)40(64)49-26(7)46(70)71/h11-14,22-26,29-34,36,57-58H,9-10,15-21,47H2,1-8H3,(H,48,68)(H,49,64)(H,50,67)(H,51,62)(H,52,63)(H,53,65)(H,54,61)(H,55,66)(H,59,60)(H,70,71)/t24-,25+,26-,29+,30+,31+,32+,33+,34+,36+/m1/s1
IUPAC Name
(3S)-3-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-{[(2S)-1-[(2S)-2-[(2R)-2-aminopropanamido]-3-hydroxypropanoyl]pyrrolidin-2-yl]formamido}-4-(methylsulfanyl)butanamido]-4-methylpentanamido]-3-methylbutanamido]propanamido]-3-(4-hydroxyphenyl)propanamido]-3-{[(1R)-1-carboxyethyl]carbamoyl}propanoic acid
SMILES
CSCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CO)NC(=O)[C@@H](C)N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](CC1=CC=C(O)C=C1)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@H](C)C(O)=O

References

General References
Not Available
ChemSpider
58828035
ChEMBL
CHEMBL3989950

Clinical Trials

Clinical Trials
PhaseStatusPurposeConditionsCount
3CompletedTreatmentFournier's Gangrene / Necrotizing Fasciitis / Necrotizing Soft Tissue Infections1
3TerminatedTreatmentAcute Kidney Injury (AKI) / Necrotizing Soft Tissue Infections / Peritonitis1
2CompletedTreatmentNecrotizing Soft Tissue Infections1
1CompletedOtherHealthy Volunteer Safety Study1

Pharmacoeconomics

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

Properties

State
Not Available
Experimental Properties
Not Available
Predicted Properties
PropertyValueSource
Water Solubility0.0329 mg/mLALOGPS
logP-1.6ALOGPS
logP-5.2ChemAxon
logS-4.5ALOGPS
pKa (Strongest Acidic)3.08ChemAxon
pKa (Strongest Basic)8.07ChemAxon
Physiological Charge-1ChemAxon
Hydrogen Acceptor Count16ChemAxon
Hydrogen Donor Count13ChemAxon
Polar Surface Area394.19 Å2ChemAxon
Rotatable Bond Count29ChemAxon
Refractivity257.8 m3·mol-1ChemAxon
Polarizability104.23 Å3ChemAxon
Number of Rings2ChemAxon
Bioavailability0ChemAxon
Rule of FiveNoChemAxon
Ghose FilterNoChemAxon
Veber's RuleNoChemAxon
MDDR-like RuleNoChemAxon
Predicted ADMET Features
Not Available

Spectra

Mass Spec (NIST)
Not Available
Spectra
Not Available

Drug created at April 03, 2021 17:56 / Updated at April 04, 2021 18:50