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

Identification

Generic Name
Neocitrullamon
DrugBank Accession Number
DB13396
Background

Not Available

Type
Small Molecule
Groups
Experimental
Structure
Weight
Average: 367.405
Monoisotopic: 367.153206168
Chemical Formula
C20H21N3O4
Synonyms
  • amino(diphenylhydantoin) valeric acid
  • Citrullamon V
  • Phenytoin-3-norvaline

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.
DrugInteraction
1,2-BenzodiazepineThe risk or severity of adverse effects can be increased when 1,2-Benzodiazepine is combined with Neocitrullamon.
AcetazolamideThe risk or severity of adverse effects can be increased when Acetazolamide is combined with Neocitrullamon.
AcetophenazineThe risk or severity of adverse effects can be increased when Acetophenazine is combined with Neocitrullamon.
AclidiniumNeocitrullamon may increase the central nervous system depressant (CNS depressant) activities of Aclidinium.
AgomelatineThe risk or severity of adverse effects can be increased when Agomelatine is combined with Neocitrullamon.
AlfentanilThe risk or severity of adverse effects can be increased when Alfentanil is combined with Neocitrullamon.
AlimemazineThe risk or severity of adverse effects can be increased when Alimemazine is combined with Neocitrullamon.
AllantoinThe therapeutic efficacy of Neocitrullamon can be increased when used in combination with Allantoin.
AlmotriptanThe risk or severity of adverse effects can be increased when Almotriptan is combined with Neocitrullamon.
AlosetronThe risk or severity of adverse effects can be increased when Alosetron is combined with Neocitrullamon.
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Food Interactions
Not Available

Categories

ATC Codes
N03AB03 — Amino(diphenylhydantoin) valeric acid
Drug Categories
Chemical TaxonomyProvided by Classyfire
Description
This compound belongs to the class of organic compounds known as phenylhydantoins. These are heterocyclic aromatic compounds containing an imiazolidinedione moiety substituted by a phenyl group.
Kingdom
Organic compounds
Super Class
Organoheterocyclic compounds
Class
Azolidines
Sub Class
Imidazolidines
Direct Parent
Phenylhydantoins
Alternative Parents
Diphenylmethanes / Phenylimidazolidines / Alpha amino acids / N-acyl ureas / Dicarboximides / Amino acids / Monocarboxylic acids and derivatives / Carboxylic acids / Azacyclic compounds / Organopnictogen compounds
show 4 more
Substituents
5-phenylhydantoin / Alpha-amino acid / Alpha-amino acid or derivatives / Amine / Amino acid / Amino acid or derivatives / Aromatic heteromonocyclic compound / Azacycle / Benzenoid / Carbonic acid derivative
show 20 more
Molecular Framework
Aromatic heteromonocyclic compounds
External Descriptors
Not Available
Affected organisms
Not Available

Chemical Identifiers

UNII
7L5LMT7B2H
CAS number
38964-88-4
InChI Key
PAJBBDCZSMDSFL-UHFFFAOYSA-N
InChI
InChI=1S/C20H21N3O4/c21-16(17(24)25)12-7-13-23-18(26)20(22-19(23)27,14-8-3-1-4-9-14)15-10-5-2-6-11-15/h1-6,8-11,16H,7,12-13,21H2,(H,22,27)(H,24,25)
IUPAC Name
2-amino-5-(2,5-dioxo-4,4-diphenylimidazolidin-1-yl)pentanoic acid
SMILES
NC(CCCN1C(=O)NC(C1=O)(C1=CC=CC=C1)C1=CC=CC=C1)C(O)=O

References

General References
Not Available
ChemSpider
2341748
ChEBI
134734
ChEMBL
CHEMBL3707389
Wikipedia
Neocitrullamon

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
Water Solubility0.0177 mg/mLALOGPS
logP0.82ALOGPS
logP-0.42Chemaxon
logS-4.3ALOGPS
pKa (Strongest Acidic)1.68Chemaxon
pKa (Strongest Basic)9.2Chemaxon
Physiological Charge0Chemaxon
Hydrogen Acceptor Count5Chemaxon
Hydrogen Donor Count3Chemaxon
Polar Surface Area112.73 Å2Chemaxon
Rotatable Bond Count7Chemaxon
Refractivity98.37 m3·mol-1Chemaxon
Polarizability38.13 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
SpectrumSpectrum TypeSplash Key
Predicted MS/MS Spectrum - 10V, Positive (Annotated)Predicted LC-MS/MSNot Available
Predicted MS/MS Spectrum - 20V, Positive (Annotated)Predicted LC-MS/MSNot Available
Predicted MS/MS Spectrum - 40V, Positive (Annotated)Predicted LC-MS/MSNot Available
Predicted MS/MS Spectrum - 10V, Negative (Annotated)Predicted LC-MS/MSNot Available
Predicted MS/MS Spectrum - 20V, Negative (Annotated)Predicted LC-MS/MSNot Available
Predicted MS/MS Spectrum - 40V, Negative (Annotated)Predicted LC-MS/MSNot Available

Carriers

Kind
Protein
Organism
Humans
Pharmacological action
No
Actions
Substrate
General Function
Serine-type endopeptidase inhibitor activity
Specific Function
Major thyroid hormone transport protein in serum.
Gene Name
SERPINA7
Uniprot ID
P05543
Uniprot Name
Thyroxine-binding globulin
Molecular Weight
46324.12 Da
References
  1. CYTOMEL (liothyronine) FDA label [File]

Drug created at June 23, 2017 20:41 / Updated at June 12, 2020 16:53