NAV

Dusquetide

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

Identification

Generic Name
Dusquetide
DrugBank Accession Number
DB11879
Background

Dusquetide has been used in trials studying the treatment of Oral Mucositis.

Type
Small Molecule
Groups
Investigational
Structure
Similar Structures
Weight
Average: 553.709
Monoisotopic: 553.370015649
Chemical Formula
C25H47N9O5
Synonyms
  • ARG-ILE-VAL-PRO-ALA-NH2
  • Dusquetide
  • L-ALANINAMIDE, L-ARGINYL-L-ISOLEUCYL-L-VALYL-L-PROLYL-
  • L-ARGINYL-L-ISOLEUCYL-L-VALYL-L-PROLYL-L-ALANINAMIDE
  • L-arginyl-L-isoleucyl-L-valyl-L-prolyl-L-alanine-amide
External IDs
  • IMX 942
  • SGX 94
  • SGX 942
  • SGX-94
  • SGX-942
  • SGX94
  • SGX942
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Pharmacology

Indication

Not Available

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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

Categories

Drug Categories
Classification
Not classified
Affected organisms
Not Available

Chemical Identifiers

UNII
IKX7W49NLN
CAS number
931395-42-5
InChI Key
ZUJBBVJXXYRPFS-OUROWQTJSA-N
InChI
InChI=1S/C25H47N9O5/c1-6-14(4)19(33-21(36)16(26)9-7-11-30-25(28)29)23(38)32-18(13(2)3)24(39)34-12-8-10-17(34)22(37)31-15(5)20(27)35/h13-19H,6-12,26H2,1-5H3,(H2,27,35)(H,31,37)(H,32,38)(H,33,36)(H4,28,29,30)/t14-,15-,16-,17-,18-,19?/m0/s1
IUPAC Name
(3S)-2-[(2S)-2-amino-5-carbamimidamidopentanamido]-N-[(2S)-1-[(2S)-2-{[(1S)-1-carbamoylethyl]carbamoyl}pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]-3-methylpentanamide
SMILES
CC[C@H](C)C(NC(=O)[C@@H](N)CCCNC(N)=N)C(=O)N[C@@H](C(C)C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C)C(N)=O

References

General References
Not Available
PubChem Compound
71722017
PubChem Substance
347828216
ChEMBL
CHEMBL3545314

Clinical Trials

Clinical Trials
PhaseStatusPurposeConditionsCount
3CompletedTreatmentOral Mucositis / Squamous Cell Carcinoma of the Oral Cavity and Oropharynx1
2CompletedTreatmentOral Mucositis1

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 Solubility0.0992 mg/mLALOGPS
logP-0.52ALOGPS
logP-2.4Chemaxon
logS-3.8ALOGPS
pKa (Strongest Acidic)12.21Chemaxon
pKa (Strongest Basic)11.74Chemaxon
Physiological Charge2Chemaxon
Hydrogen Acceptor Count9Chemaxon
Hydrogen Donor Count8Chemaxon
Polar Surface Area238.62 Å2Chemaxon
Rotatable Bond Count15Chemaxon
Refractivity155.22 m3·mol-1Chemaxon
Polarizability59.37 Å3Chemaxon
Number of Rings1Chemaxon
Bioavailability0Chemaxon
Rule of FiveNoChemaxon
Ghose FilterNoChemaxon
Veber's RuleNoChemaxon
MDDR-like RuleNoChemaxon
Predicted ADMET Features
Not Available

Spectra

Mass Spec (NIST)
Not Available
Spectra
SpectrumSpectrum TypeSplash Key
Predicted MS/MS Spectrum - 10V, Positive (Annotated)Predicted LC-MS/MSsplash10-0f76-1390160000-28b25e232ca6ec7ea3ff
Predicted MS/MS Spectrum - 10V, Negative (Annotated)Predicted LC-MS/MSsplash10-0ugi-1771090000-f5465630b15d1c1ab054
Predicted MS/MS Spectrum - 20V, Positive (Annotated)Predicted LC-MS/MSsplash10-000i-9851020000-a3e40cd3c0d379390e79
Predicted MS/MS Spectrum - 20V, Negative (Annotated)Predicted LC-MS/MSsplash10-00kf-6892740000-348c79cd64d2c2c4c977
Predicted MS/MS Spectrum - 40V, Positive (Annotated)Predicted LC-MS/MSsplash10-00di-9100000000-008ccc2909fb152c7ae4
Predicted MS/MS Spectrum - 40V, Negative (Annotated)Predicted LC-MS/MSsplash10-0006-9120100000-15a1bfa2d3c2100f084c
Chromatographic Properties
Collision Cross Sections (CCS)
Not Available

Drug created at October 20, 2016 20:57 / Updated at September 29, 2023 14:17