NAV

Cibinetide

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

Identification

Generic Name
Cibinetide
DrugBank Accession Number
DB13006
Background

Cibinetide has been used in trials studying the basic science of Depression.

Type
Small Molecule
Groups
Investigational
Structure
Similar Structures
Weight
Average: 1257.324
Monoisotopic: 1256.599693789
Chemical Formula
C51H84N16O21
Synonyms
  • Cibinetide
  • L-Pyr-L-Glu-L-Gln-L-Leu-L-Glu-L-Arg-L-Ala-L-Leu-L-Asn-L-Ser-L-Ser
  • PGLU-GLU-GLN-LEU-GLU-ARG-ALA-LEU-ASN-SER-SER
  • PH-BSP
  • PHBSP
External IDs
  • ARA-290
  • ARA290
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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.
Not Available
Food Interactions
Not Available

Categories

Drug Categories
Chemical TaxonomyProvided by Classyfire
Description
This compound belongs to the class of organic compounds known as polypeptides. These are peptides containing ten or more amino acid residues.
Kingdom
Organic compounds
Super Class
Organic Polymers
Class
Polypeptides
Sub Class
Not Available
Direct Parent
Polypeptides
Alternative Parents
Peptides / Glutamic acid and derivatives / Glutamine and derivatives / Asparagine and derivatives / Leucine and derivatives / Proline and derivatives / N-acyl-L-alpha-amino acids / Serine and derivatives / Alpha amino acid amides / Alanine and derivatives
show 17 more
Substituents
2-pyrrolidone / Alanine or derivatives / Alcohol / Aliphatic heteromonocyclic compound / Alpha peptide / Alpha-amino acid amide / Alpha-amino acid or derivatives / Asparagine or derivatives / Azacycle / Beta-hydroxy acid
show 38 more
Molecular Framework
Aliphatic heteromonocyclic compounds
External Descriptors
Not Available
Affected organisms
Not Available

Chemical Identifiers

UNII
9W5677JKDA
CAS number
1208243-50-8
InChI Key
WZTIQQBMSJTRBR-WYKNNRPVSA-N
InChI
InChI=1S/C51H84N16O21/c1-22(2)17-30(47(84)65-32(19-36(53)71)48(85)66-33(20-68)49(86)67-34(21-69)50(87)88)63-40(77)24(5)57-41(78)25(7-6-16-56-51(54)55)59-43(80)29(11-15-39(75)76)62-46(83)31(18-23(3)4)64-45(82)27(8-12-35(52)70)60-44(81)28(10-14-38(73)74)61-42(79)26-9-13-37(72)58-26/h22-34,68-69H,6-21H2,1-5H3,(H2,52,70)(H2,53,71)(H,57,78)(H,58,72)(H,59,80)(H,60,81)(H,61,79)(H,62,83)(H,63,77)(H,64,82)(H,65,84)(H,66,85)(H,67,86)(H,73,74)(H,75,76)(H,87,88)(H4,54,55,56)/t24-,25-,26-,27-,28-,29-,30-,31-,32-,33-,34-/m0/s1
IUPAC Name
(4S)-4-{[(1S)-1-{[(1S)-1-{[(1S)-1-{[(1S)-4-carbamimidamido-1-{[(1S)-1-{[(1S)-1-{[(1S)-2-carbamoyl-1-{[(1S)-1-{[(1S)-1-carboxy-2-hydroxyethyl]carbamoyl}-2-hydroxyethyl]carbamoyl}ethyl]carbamoyl}-3-methylbutyl]carbamoyl}ethyl]carbamoyl}butyl]carbamoyl}-3-carboxypropyl]carbamoyl}-3-methylbutyl]carbamoyl}-3-carbamoylpropyl]carbamoyl}-4-{[(2S)-5-oxopyrrolidin-2-yl]formamido}butanoic acid
SMILES
CC(C)C[C@H](NC(=O)[C@H](C)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@@H]1CCC(=O)N1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CO)C(O)=O

References

General References
Not Available
PubChem Compound
91810664
PubChem Substance
347829143
ChemSpider
35013013
ChEMBL
CHEMBL3545305

Clinical Trials

Clinical Trials
PhaseStatusPurposeConditionsCount
2CompletedTreatmentNeuropathy of Sarcoidosis1
2Unknown StatusTreatmentImpaired Fasting Glucose (IFG) / Impaired Glucose Tolerance / Type 2 Diabetes Mellitus1
1, 2CompletedBasic ScienceDepression1

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 Solubility0.232 mg/mLALOGPS
logP-2.3ALOGPS
logP-12Chemaxon
logS-3.7ALOGPS
pKa (Strongest Acidic)2.91Chemaxon
pKa (Strongest Basic)11.67Chemaxon
Physiological Charge-2Chemaxon
Hydrogen Acceptor Count24Chemaxon
Hydrogen Donor Count21Chemaxon
Polar Surface Area620.54 Å2Chemaxon
Rotatable Bond Count42Chemaxon
Refractivity306.97 m3·mol-1Chemaxon
Polarizability124.09 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/MSsplash10-014u-3291302422-4e155c04a89d4e73f29f
Predicted MS/MS Spectrum - 10V, Negative (Annotated)Predicted LC-MS/MSsplash10-0gbi-9661000300-e7dacdb0448c9c174907
Predicted MS/MS Spectrum - 20V, Positive (Annotated)Predicted LC-MS/MSsplash10-0079-5291601143-be56a3b4a3c52228e326
Predicted MS/MS Spectrum - 20V, Negative (Annotated)Predicted LC-MS/MSsplash10-000i-4980020101-34da9424eb0f5e28040a
Predicted MS/MS Spectrum - 40V, Positive (Annotated)Predicted LC-MS/MSsplash10-05bu-5110903413-cfe92fe309702dda8dc9
Predicted MS/MS Spectrum - 40V, Negative (Annotated)Predicted LC-MS/MSsplash10-014r-6542640109-a4e44d5ef41d535d6af4
Chromatographic Properties
Collision Cross Sections (CCS)
AdductCCS Value (Å2)Source typeSource
[M-H]-331.32767
predicted
DeepCCS 1.0 (2019)
[M+H]+333.05136
predicted
DeepCCS 1.0 (2019)
[M+Na]+339.38028
predicted
DeepCCS 1.0 (2019)

Drug created at October 21, 2016 02:01 / Updated at December 01, 2022 11:28