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3-(3-(6-Guanidino-1-oxoisoindolin-2yl)propanamido)-3-(pyridine-3yl)propanoic acid

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

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Identification

Generic Name
3-(3-(6-Guanidino-1-oxoisoindolin-2yl)propanamido)-3-(pyridine-3yl)propanoic acid
DrugBank Accession Number
DB18036
Background

Not Available

Type
Small Molecule
Groups
Investigational
Structure
3D
Similar Structures
Weight
Average: 410.434
Monoisotopic: 410.170253212
Chemical Formula
C20H22N6O4
Synonyms
Not Available
External IDs
  • GOPPP
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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

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Product Ingredients
IngredientUNIICASInChI Key
3-(3-(6-Guanidino-1-oxoisoindolin-2yl)propanamido)-3-(pyridine-3yl)propanoic acid dihydrochlorideBJM92K3NGH1445774-05-9MGVVVBJYSKDOKM-UHFFFAOYSA-N

Categories

Drug Categories
Not Available
Classification
Not classified
Affected organisms
Not Available

Chemical Identifiers

UNII
HP3E8MOW01
CAS number
1445836-51-0
InChI Key
QYJPVUKVHBUFLH-UHFFFAOYSA-N
InChI
InChI=1S/C20H22N6O4/c21-20(22)24-14-4-3-13-11-26(19(30)15(13)8-14)7-5-17(27)25-16(9-18(28)29)12-2-1-6-23-10-12/h1-4,6,8,10,16H,5,7,9,11H2,(H,25,27)(H,28,29)(H4,21,22,24)
IUPAC Name
3-[3-(6-carbamimidamido-1-oxo-2,3-dihydro-1H-isoindol-2-yl)propanamido]-3-(pyridin-3-yl)propanoic acid
SMILES
NC(=N)NC1=CC=C2CN(CCC(=O)NC(CC(O)=O)C3=CC=CN=C3)C(=O)C2=C1

References

General References
Not Available
ChemSpider
68007079

Clinical Trials

Clinical Trials
PhaseStatusPurposeConditionsCount

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
logP-2.2Chemaxon
pKa (Strongest Acidic)3.49Chemaxon
pKa (Strongest Basic)9.63Chemaxon
Physiological Charge0Chemaxon
Hydrogen Acceptor Count8Chemaxon
Hydrogen Donor Count5Chemaxon
Polar Surface Area161.5 Å2Chemaxon
Rotatable Bond Count8Chemaxon
Refractivity120.03 m3·mol-1Chemaxon
Polarizability42.12 Å3Chemaxon
Number of Rings3Chemaxon
Bioavailability1Chemaxon
Rule of FiveYesChemaxon
Ghose FilterNoChemaxon
Veber's RuleNoChemaxon
MDDR-like RuleYesChemaxon
Predicted ADMET Features
Not Available

Spectra

Mass Spec (NIST)
Not Available
Spectra
Not Available
Chromatographic Properties
Collision Cross Sections (CCS)
Not Available

Drug created at September 08, 2023 17:30 / Updated at September 28, 2023 05:47