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

Identification

Generic Name
DiaPep 277
DrugBank Accession Number
DB06651
Background

DiaPep 277 is a 24-mer laboratory-made peptide derived from Hsp60(437-460).

Type
Small Molecule
Groups
Investigational
Structure
Thumb
Weight
Average: 2390.768
Monoisotopic: 2389.321674988
Chemical Formula
C106H180N28O34
Synonyms
Not Available
External IDs
  • AVE0277
  • DiaPep 277
  • DiaPep-277
  • DiaPep277

Pharmacology

Indication

Investigated for use/treatment in diabetes mellitus type 1, autoimmune diseases, and diabetes mellitus type 2.

Pharmacology
Reduce drug development failure rates
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Contraindications & Blackbox Warnings
Contraindications
Avoid life-threatening adverse drug events
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Avoid life-threatening adverse drug events & improve clinical decision support.
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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
Adverseeffects
Improve decision support & research outcomes
With structured adverse effects data, including: blackbox warnings, adverse reactions, warning & precautions, & incidence rates.
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Improve decision support & research outcomes with our structured adverse effects data.
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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
F8778UWB0A
CAS number
179822-83-4
InChI Key
VGGRNGOEDNBLPH-YJHCMWSWSA-N
InChI
InChI=1S/C106H180N28O34/c1-23-55(18)83(131-102(164)82(54(16)17)130-90(152)60(27-24-32-111-106(109)110)118-91(153)65(38-50(8)9)123-92(154)63(36-48(4)5)121-87(149)58(21)117-101(163)81(53(14)15)129-76(140)45-113-74(138)43-112-75(139)44-114-88(150)62(35-47(2)3)126-100(162)80(108)52(12)13)103(165)133-33-25-28-71(133)98(160)115-56(19)85(147)120-64(37-49(6)7)93(155)125-68(41-78(143)144)95(157)128-70(46-135)97(159)124-66(39-51(10)11)96(158)132-84(59(22)136)104(166)134-34-26-29-72(134)99(161)116-57(20)86(148)122-67(40-73(107)137)94(156)119-61(30-31-77(141)142)89(151)127-69(105(167)168)42-79(145)146/h47-72,80-84,135-136H,23-46,108H2,1-22H3,(H2,107,137)(H,112,139)(H,113,138)(H,114,150)(H,115,160)(H,116,161)(H,117,163)(H,118,153)(H,119,156)(H,120,147)(H,121,149)(H,122,148)(H,123,154)(H,124,159)(H,125,155)(H,126,162)(H,127,151)(H,128,157)(H,129,140)(H,130,152)(H,131,164)(H,132,158)(H,141,142)(H,143,144)(H,145,146)(H,167,168)(H4,109,110,111)/t55-,56-,57-,58-,59+,60-,61-,62-,63-,64-,65-,66-,67-,68-,69-,70-,71-,72-,80-,81-,82-,83-,84-/m0/s1
IUPAC Name
(2S)-2-{[(2S)-2-{[(2S)-2-{[(2S)-2-({[(2S)-1-[(2S,3R)-2-{[(2S)-2-{[(2S)-2-{[(2S)-2-{[(2S)-2-{[(2S)-2-({[(2S)-1-[(2S,3S)-2-{[(2S)-2-{[(2S)-2-{[(2S)-2-{[(2S)-2-{[(2S)-2-{[(2S)-2-{[2-({2-[(2-{[(2S)-2-{[(2S)-2-amino-1-hydroxy-3-methylbutylidene]amino}-1-hydroxy-4-methylpentylidene]amino}-1-hydroxyethylidene)amino]-1-hydroxyethylidene}amino)-1-hydroxyethylidene]amino}-1-hydroxy-3-methylbutylidene]amino}-1-hydroxypropylidene]amino}-1-hydroxy-4-methylpentylidene]amino}-1-hydroxy-4-methylpentylidene]amino}-5-carbamimidamido-1-hydroxypentylidene]amino}-1-hydroxy-3-methylbutylidene]amino}-3-methylpentanoyl]pyrrolidin-2-yl](hydroxy)methylidene}amino)-1-hydroxypropylidene]amino}-1-hydroxy-4-methylpentylidene]amino}-3-carboxy-1-hydroxypropylidene]amino}-1,3-dihydroxypropylidene]amino}-1-hydroxy-4-methylpentylidene]amino}-3-hydroxybutanoyl]pyrrolidin-2-yl](hydroxy)methylidene}amino)-1-hydroxypropylidene]amino}-1-hydroxy-3-(C-hydroxycarbonimidoyl)propylidene]amino}-4-carboxy-1-hydroxybutylidene]amino}butanedioic acid
SMILES
[H][C@](C)(O)[C@]([H])(N=C(O)[C@]([H])(CC(C)C)N=C(O)[C@]([H])(CO)N=C(O)[C@]([H])(CC(O)=O)N=C(O)[C@]([H])(CC(C)C)N=C(O)[C@]([H])(C)N=C(O)[C@]1([H])CCCN1C(=O)[C@@]([H])(N=C(O)[C@@]([H])(N=C(O)[C@]([H])(CCCNC(N)=N)N=C(O)[C@]([H])(CC(C)C)N=C(O)[C@]([H])(CC(C)C)N=C(O)[C@]([H])(C)N=C(O)[C@@]([H])(N=C(O)CN=C(O)CN=C(O)CN=C(O)[C@]([H])(CC(C)C)N=C(O)[C@@]([H])(N)C(C)C)C(C)C)C(C)C)[C@@]([H])(C)CC)C(=O)N1CCC[C@@]1([H])C(O)=N[C@@]([H])(C)C(O)=N[C@@]([H])(CC(O)=N)C(O)=N[C@@]([H])(CCC(O)=O)C(O)=N[C@@]([H])(CC(O)=O)C(O)=O

References

General References
Not Available
ChemSpider
17295207

Clinical Trials

Clinical Trials
PhaseStatusPurposeConditionsCount
3CompletedTreatmentType 1 Diabetes Mellitus3
3TerminatedTreatmentType 1 Diabetes Mellitus2
2TerminatedTreatmentDiabetes, Autoimmune1
1, 2WithdrawnTreatmentType 1 Diabetes Mellitus1

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 Solubility0.0386 mg/mLALOGPS
logP1.29ALOGPS
logP6.46ChemAxon
logS-4.8ALOGPS
pKa (Strongest Acidic)2.48ChemAxon
pKa (Strongest Basic)11.86ChemAxon
Physiological Charge-12ChemAxon
Hydrogen Acceptor Count60ChemAxon
Hydrogen Donor Count33ChemAxon
Polar Surface Area1046.67 Å2ChemAxon
Rotatable Bond Count75ChemAxon
Refractivity622.73 m3·mol-1ChemAxon
Polarizability253.23 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 March 19, 2008 16:44 / Updated at June 12, 2020 16:52