NAV

Ipamorelin

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

Identification

Generic Name
Ipamorelin
DrugBank Accession Number
DB12370
Background

Ipamorelin has been investigated for the treatment of Ileus.

Type
Small Molecule
Groups
Investigational
Structure
Similar Structures
Weight
Average: 711.868
Monoisotopic: 711.385665714
Chemical Formula
C38H49N9O5
Synonyms
  • Ipamorelin
External IDs
  • NNC 26-0161
  • NNC-26-0161
  • NNC-260161
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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 oligopeptides. These are organic compounds containing a sequence of between three and ten alpha-amino acids joined by peptide bonds.
Kingdom
Organic compounds
Super Class
Organic acids and derivatives
Class
Carboxylic acids and derivatives
Sub Class
Amino acids, peptides, and analogues
Direct Parent
Oligopeptides
Alternative Parents
Phenylalanine and derivatives / Histidine and derivatives / N-acyl-alpha amino acids and derivatives / Alpha amino acid amides / Amphetamines and derivatives / Naphthalenes / Fatty amides / Heteroaromatic compounds / Imidazoles / Secondary carboxylic acid amides
show 6 more
Substituents
Alpha-amino acid amide / Alpha-amino acid or derivatives / Alpha-oligopeptide / Amine / Amino acid or derivatives / Amphetamine or derivatives / Aromatic heteropolycyclic compound / Azacycle / Azole / Benzenoid
show 23 more
Molecular Framework
Aromatic heteropolycyclic compounds
External Descriptors
Not Available
Affected organisms
Not Available

Chemical Identifiers

UNII
Y9M3S784Z6
CAS number
170851-70-4
InChI Key
NEHWBYHLYZGBNO-BVEPWEIPSA-N
InChI
InChI=1S/C38H49N9O5/c1-38(2,41)37(52)47-32(21-28-22-42-23-43-28)36(51)46-31(20-25-15-16-26-12-6-7-13-27(26)18-25)35(50)45-30(19-24-10-4-3-5-11-24)34(49)44-29(33(40)48)14-8-9-17-39/h3-7,10-13,15-16,18,22-23,29-32H,8-9,14,17,19-21,39,41H2,1-2H3,(H2,40,48)(H,42,43)(H,44,49)(H,45,50)(H,46,51)(H,47,52)/t29-,30+,31+,32-/m0/s1
IUPAC Name
(2S)-6-amino-2-[(2R)-2-[(2R)-2-[(2S)-2-(2-amino-2-methylpropanamido)-3-(1H-imidazol-4-yl)propanamido]-3-(naphthalen-2-yl)propanamido]-3-phenylpropanamido]hexanamide
SMILES
CC(C)(N)C(=O)N[C@@H](CC1=CNC=N1)C(=O)N[C@H](CC1=CC=C2C=CC=CC2=C1)C(=O)N[C@H](CC1=CC=CC=C1)C(=O)N[C@@H](CCCCN)C(N)=O

References

General References
Not Available
PubChem Compound
9831659
PubChem Substance
347828621
ChemSpider
8007390
ChEMBL
CHEMBL58547
ZINC
ZINC000029562299
Wikipedia
Ipamorelin

Clinical Trials

Clinical Trials
PhaseStatusPurposeConditionsCount
2CompletedTreatmentGastrointestinal Dysmotility1
2CompletedTreatmentIleus1

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 Solubility0.0032 mg/mLALOGPS
logP1.51ALOGPS
logP0.64Chemaxon
logS-5.4ALOGPS
pKa (Strongest Acidic)11.79Chemaxon
pKa (Strongest Basic)10.2Chemaxon
Physiological Charge2Chemaxon
Hydrogen Acceptor Count8Chemaxon
Hydrogen Donor Count8Chemaxon
Polar Surface Area240.21 Å2Chemaxon
Rotatable Bond Count19Chemaxon
Refractivity196.22 m3·mol-1Chemaxon
Polarizability77.05 Å3Chemaxon
Number of Rings4Chemaxon
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/MSsplash10-03dj-0050019800-7c48f2e6f50c42d04149
Predicted MS/MS Spectrum - 10V, Negative (Annotated)Predicted LC-MS/MSsplash10-01ox-5300069800-eb03bf6a75885bda8890
Predicted MS/MS Spectrum - 20V, Positive (Annotated)Predicted LC-MS/MSsplash10-05ot-5745369100-8e8553d7c70e517e42a6
Predicted MS/MS Spectrum - 20V, Negative (Annotated)Predicted LC-MS/MSsplash10-0006-9400004000-b8bebb033de5483b6caa
Predicted MS/MS Spectrum - 40V, Positive (Annotated)Predicted LC-MS/MSsplash10-052p-7910220000-7e664ff56c5a95b7a5f3
Predicted MS/MS Spectrum - 40V, Negative (Annotated)Predicted LC-MS/MSsplash10-0006-9403330000-3c93301fc6faaa69153d
Chromatographic Properties
Collision Cross Sections (CCS)
AdductCCS Value (Å2)Source typeSource
[M-H]-245.09618
predicted
DeepCCS 1.0 (2019)
[M+H]+246.86992
predicted
DeepCCS 1.0 (2019)
[M+Na]+252.92876
predicted
DeepCCS 1.0 (2019)

Drug created at October 20, 2016 22:06 / Updated at February 21, 2021 18:53