DPDPE

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

Identification

Generic Name
DPDPE
DrugBank Accession Number
DB08861
Background

A heterodetic cyclic peptide that is a cyclic enkephalin analogue, having D-penicillaminyl residues located at positions 2 and 5, which form the heterocycle via a disulfide bond.

Type
Small Molecule
Groups
Experimental
Structure
Weight
Average: 645.79
Monoisotopic: 645.229090964
Chemical Formula
C30H39N5O7S2
Synonyms
  • (D-Pen2,D-Pen5)-Enkephalin
  • [D-Pen2-D-Pen5]-enkephaline
  • 2,5-Pen-enkephalin
  • cyclo-[D-Pen2,5]-enkephalin
  • D-penicillamine-(2,5)-enkephalin
  • L-tyrosyl-3-mercapto-D-valylglycyl-L-phenylalanyl-3-mercapto-D-valine, cyclic (2-5)-disulfide

Pharmacology

Indication

Not Available

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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.
DrugInteraction
1,2-BenzodiazepineThe risk or severity of adverse effects can be increased when DPDPE is combined with 1,2-Benzodiazepine.
AcetazolamideThe risk or severity of CNS depression can be increased when Acetazolamide is combined with DPDPE.
AcetophenazineThe risk or severity of hypotension and CNS depression can be increased when Acetophenazine is combined with DPDPE.
AclidiniumThe risk or severity of adverse effects can be increased when Aclidinium is combined with DPDPE.
AgomelatineThe risk or severity of CNS depression can be increased when Agomelatine is combined with DPDPE.
Food Interactions
Not Available

Categories

Drug Categories
Classification
Not classified
Affected organisms
Not Available

Chemical Identifiers

UNII
HB4QD9GL6F
CAS number
88373-73-3
InChI Key
MCMMCRYPQBNCPH-WMIMKTLMSA-N
InChI
InChI=1S/C30H39N5O7S2/c1-29(2)23(34-25(38)20(31)14-18-10-12-19(36)13-11-18)27(40)32-16-22(37)33-21(15-17-8-6-5-7-9-17)26(39)35-24(28(41)42)30(3,4)44-43-29/h5-13,20-21,23-24,36H,14-16,31H2,1-4H3,(H,32,40)(H,33,37)(H,34,38)(H,35,39)(H,41,42)/t20-,21-,23-,24-/m0/s1
IUPAC Name
(4S,7S,13S)-13-[(2S)-2-amino-3-(4-hydroxyphenyl)propanamido]-7-benzyl-3,3,14,14-tetramethyl-6,9,12-trioxo-1,2-dithia-5,8,11-triazacyclotetradecane-4-carboxylic acid
SMILES
CC1(C)SSC(C)(C)[C@@H](NC(=O)[C@@H](N)CC2=CC=C(O)C=C2)C(=O)NCC(=O)N[C@@H](CC2=CC=CC=C2)C(=O)N[C@H]1C(O)=O

References

General References
Not Available
KEGG Compound
C20164
ChemSpider
94592
BindingDB
21008
ChEBI
73356
ChEMBL
CHEMBL31421
ZINC
ZINC000029206920
Wikipedia
DPDPE

Clinical Trials

Clinical Trials
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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 Solubility0.00632 mg/mLALOGPS
logP0.59ALOGPS
logP-1Chemaxon
logS-5ALOGPS
pKa (Strongest Acidic)3.39Chemaxon
pKa (Strongest Basic)7.73Chemaxon
Physiological Charge0Chemaxon
Hydrogen Acceptor Count8Chemaxon
Hydrogen Donor Count7Chemaxon
Polar Surface Area199.95 Å2Chemaxon
Rotatable Bond Count7Chemaxon
Refractivity168.07 m3·mol-1Chemaxon
Polarizability65.64 Å3Chemaxon
Number of Rings3Chemaxon
Bioavailability0Chemaxon
Rule of FiveNoChemaxon
Ghose FilterNoChemaxon
Veber's RuleNoChemaxon
MDDR-like RuleYesChemaxon
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/MSsplash10-0002-0100009000-7bec9a79b4eb8008ba25
Predicted MS/MS Spectrum - 10V, Negative (Annotated)Predicted LC-MS/MSsplash10-0006-0000229000-6073923f9eac6b4311bb
Predicted MS/MS Spectrum - 20V, Positive (Annotated)Predicted LC-MS/MSsplash10-02w9-0400928000-61bf5c98d5b72bd436e0
Predicted MS/MS Spectrum - 20V, Negative (Annotated)Predicted LC-MS/MSsplash10-004i-0000900000-da764a5385ec10c9b20e
Predicted MS/MS Spectrum - 40V, Negative (Annotated)Predicted LC-MS/MSsplash10-0w29-3503900000-2554065d14033a289d83
Predicted MS/MS Spectrum - 40V, Positive (Annotated)Predicted LC-MS/MSsplash10-0597-9802300000-ba4b203371e47aafe513
Chromatographic Properties
Collision Cross Sections (CCS)
Not Available

Transporters

Kind
Protein
Organism
Humans
Pharmacological action
Unknown
General Function
Sodium-independent organic anion transmembrane transporter activity
Specific Function
Mediates the Na(+)-independent uptake of organic anions such as 17-beta-glucuronosyl estradiol, taurocholate, triiodothyronine (T3), leukotriene C4, dehydroepiandrosterone sulfate (DHEAS), methotre...
Gene Name
SLCO1B3
Uniprot ID
Q9NPD5
Uniprot Name
Solute carrier organic anion transporter family member 1B3
Molecular Weight
77402.175 Da
References
  1. Kullak-Ublick GA, Ismair MG, Stieger B, Landmann L, Huber R, Pizzagalli F, Fattinger K, Meier PJ, Hagenbuch B: Organic anion-transporting polypeptide B (OATP-B) and its functional comparison with three other OATPs of human liver. Gastroenterology. 2001 Feb;120(2):525-33. [Article]

Drug created at March 04, 2013 00:42 / Updated at June 12, 2020 16:52