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

Identification

Name
DPDPE
Accession Number
DB08861
Description

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
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Structure
Thumb
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
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
Affected organisms
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
AcetazolamideThe risk or severity of adverse effects 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 DPDPE is combined with Aclidinium.
AgomelatineThe risk or severity of adverse effects can be increased when Agomelatine is combined with DPDPE.
AlfentanilThe risk or severity of adverse effects can be increased when Alfentanil is combined with DPDPE.
AlimemazineThe risk or severity of hypotension and CNS depression can be increased when Alimemazine is combined with DPDPE.
AlloinThe therapeutic efficacy of Alloin can be decreased when used in combination with DPDPE.
AlmotriptanThe risk or severity of adverse effects can be increased when Almotriptan is combined with DPDPE.
AlosetronThe risk or severity of adverse effects can be increased when Alosetron is combined with DPDPE.
AlprazolamThe risk or severity of adverse effects can be increased when DPDPE is combined with Alprazolam.
Additional Data Available
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    Extended Description
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    Extended description of the mechanism of action and particular properties of each drug interaction.

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  • Severity
    Severity
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  • Evidence Level
    Evidence Level
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Food Interactions
Not Available

Categories

Drug Categories
Classification
Not classified

Chemical Identifiers

UNII
Not Available
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)[[email protected]@H](NC(=O)[[email protected]@H](N)CC2=CC=C(O)C=C2)C(=O)NCC(=O)N[[email protected]@H](CC2=CC=CC=C2)C(=O)N[[email protected]]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
PhaseStatusPurposeConditionsCount

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
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. [PubMed:11159893]

Drug created on March 03, 2013 17:42 / Updated on June 12, 2020 10:52

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