Somatoprim

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

Identification

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Name
Somatoprim
Accession Number
DB12777
Type
Small Molecule
Groups
Investigational
Description

Somatoprim is under investigation for the treatment of Acromegaly.

Structure
Thumb
Synonyms
Not Available
External IDs
DG-3173 / DG3173 / PTR 3173 / PTR-3173
Categories
UNII
1Z83587HBN
CAS number
252845-37-7
Weight
Average: 1123.326
Monoisotopic: 1122.565086631
Chemical Formula
C60H74N12O10
InChI Key
ABFNTRQPWNXUHA-VEVJRHMJSA-N
InChI
InChI=1S/C60H74N12O10/c1-37(73)54-59(81)70-50(31-39-18-6-3-7-19-39)60(82)72(36-51(62)74)29-15-26-52(75)63-28-14-25-53(76)66-47(30-38-16-4-2-5-17-38)56(78)68-49(33-41-35-65-45-23-11-9-21-43(41)45)58(80)69-48(32-40-34-64-44-22-10-8-20-42(40)44)57(79)67-46(55(77)71-54)24-12-13-27-61/h2-11,16-23,34-35,37,46-50,54,64-65,73H,12-15,24-33,36,61H2,1H3,(H2,62,74)(H,63,75)(H,66,76)(H,67,79)(H,68,78)(H,69,80)(H,70,81)(H,71,77)/t37-,46+,47+,48-,49+,50+,54+/m1/s1
IUPAC Name
2-[(3S,6S,9S,12R,15S,18S)-9-(4-aminobutyl)-3,18-dibenzyl-6-[(1R)-1-hydroxyethyl]-12,15-bis[(1H-indol-3-yl)methyl]-2,5,8,11,14,17,20,25-octaoxo-1,4,7,10,13,16,19,24-octaazacyclooctacosan-1-yl]acetamide
SMILES
C[C@@H](O)[C@@H]1NC(=O)[C@H](CCCCN)NC(=O)[C@@H](CC2=CNC3=CC=CC=C23)NC(=O)[C@H](CC2=CNC3=CC=CC=C23)NC(=O)[C@H](CC2=CC=CC=C2)NC(=O)CCCNC(=O)CCCN(CC(N)=O)C(=O)[C@H](CC2=CC=CC=C2)NC1=O

Pharmacology

Indication
Not Available
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
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.
Not Available
Food Interactions
Not Available

References

General References
Not Available
External Links
PubChem Compound
9919857
PubChem Substance
347828959
ChemSpider
8095496

Clinical Trials

Clinical Trials
PhaseStatusPurposeConditionsCount
1CompletedTreatmentHealthy Volunteers3
2CompletedTreatmentAcromegaly2

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 Solubility0.00501 mg/mLALOGPS
logP2.15ALOGPS
logP0.42ChemAxon
logS-5.4ALOGPS
pKa (Strongest Acidic)11.61ChemAxon
pKa (Strongest Basic)10.18ChemAxon
Physiological Charge1ChemAxon
Hydrogen Acceptor Count11ChemAxon
Hydrogen Donor Count12ChemAxon
Polar Surface Area344.93 Å2ChemAxon
Rotatable Bond Count15ChemAxon
Refractivity305.03 m3·mol-1ChemAxon
Polarizability118.95 Å3ChemAxon
Number of Rings7ChemAxon
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

Taxonomy

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
Macrolactams / 3-alkylindoles / Alpha amino acids and derivatives / Substituted pyrroles / Benzene and substituted derivatives / Tertiary carboxylic acid amides / Heteroaromatic compounds / Secondary carboxylic acid amides / Secondary alcohols / Primary carboxylic acid amides
show 6 more
Substituents
Alpha-oligopeptide / Macrolactam / Alpha-amino acid or derivatives / 3-alkylindole / Indole / Indole or derivatives / Monocyclic benzene moiety / Benzenoid / Substituted pyrrole / Heteroaromatic compound
show 22 more
Molecular Framework
Aromatic heteropolycyclic compounds
External Descriptors
Not Available

Drug created on October 20, 2016 18:11 / Updated on September 02, 2019 19:46