Dihydrexidine

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
Dihydrexidine
Accession Number
DB12890
Type
Small Molecule
Groups
Investigational
Description

Dihydrexidine has been used in trials studying the treatment of SPD, Cocaine-Related Disorders, and Schizotypal Personality Disorder.

Structure
Thumb
Synonyms
Not Available
Categories
UNII
U4MPC92UC2
CAS number
123039-93-0
Weight
Average: 267.328
Monoisotopic: 267.125928791
Chemical Formula
C17H17NO2
InChI Key
BGOQGUHWXBGXJW-YOEHRIQHSA-N
InChI
InChI=1S/C17H17NO2/c19-15-7-10-5-6-14-17(13(10)8-16(15)20)12-4-2-1-3-11(12)9-18-14/h1-4,7-8,14,17-20H,5-6,9H2/t14-,17-/m0/s1
IUPAC Name
(1R,10S)-9-azatetracyclo[8.8.0.0^{2,7}.0^{13,18}]octadeca-2,4,6,13,15,17-hexaene-15,16-diol
SMILES
OC1=C(O)C=C2[C@H]3[C@H](CCC2=C1)NCC1=CC=CC=C31

Pharmacology

Indication
Not Available
Pharmacodynamics
Not Available
Mechanism of action
TargetActionsOrganism
UD(1A) dopamine receptorNot AvailableHumans
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
DrugInteraction
AcepromazineThe therapeutic efficacy of Dihydrexidine can be decreased when used in combination with Acepromazine.
AceprometazineThe therapeutic efficacy of Dihydrexidine can be decreased when used in combination with Aceprometazine.
AcetophenazineThe therapeutic efficacy of Dihydrexidine can be decreased when used in combination with Acetophenazine.
AlizaprideThe therapeutic efficacy of Dihydrexidine can be decreased when used in combination with Alizapride.
AmisulprideThe therapeutic efficacy of Dihydrexidine can be decreased when used in combination with Amisulpride.
AmoxapineThe therapeutic efficacy of Dihydrexidine can be decreased when used in combination with Amoxapine.
ApomorphineThe risk or severity of adverse effects can be decreased when Apomorphine is combined with Dihydrexidine.
AripiprazoleThe therapeutic efficacy of Dihydrexidine can be decreased when used in combination with Aripiprazole.
AS-8112The therapeutic efficacy of Dihydrexidine can be decreased when used in combination with AS-8112.
AsenapineThe therapeutic efficacy of Dihydrexidine can be decreased when used in combination with Asenapine.
Additional Data Available
  • Extended Description
    Extended Description

    Extended description of the mechanism of action and particular properties of each drug interaction.

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  • Severity
    Severity

    A severity rating for each drug interaction, from minor to major.

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  • Evidence Level
    Evidence Level

    A rating for the strength of the evidence supporting each drug interaction.

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  • Action
    Action

    An effect category for each drug interaction. Know how this interaction affects the subject drug.

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Food Interactions
Not Available

References

General References
Not Available
External Links
PubChem Compound
5311070
PubChem Substance
347829045
ChemSpider
4470606
Wikipedia
Dihydrexidine

Clinical Trials

Clinical Trials
PhaseStatusPurposeConditionsCount
1Unknown StatusTreatmentCocaine-Related Disorders1
2CompletedTreatmentSchizotypal Personality Disorder / SPD1

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 Solubility0.0445 mg/mLALOGPS
logP2.18ALOGPS
logP2.47ChemAxon
logS-3.8ALOGPS
pKa (Strongest Acidic)9.74ChemAxon
pKa (Strongest Basic)9.01ChemAxon
Physiological Charge1ChemAxon
Hydrogen Acceptor Count3ChemAxon
Hydrogen Donor Count3ChemAxon
Polar Surface Area52.49 Å2ChemAxon
Rotatable Bond Count0ChemAxon
Refractivity78.72 m3·mol-1ChemAxon
Polarizability29.37 Å3ChemAxon
Number of Rings4ChemAxon
Bioavailability1ChemAxon
Rule of FiveYesChemAxon
Ghose FilterYesChemAxon
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/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

Taxonomy

Description
This compound belongs to the class of organic compounds known as phenanthridines and derivatives. These are polycyclic compounds containing a phenanthridine moiety, which is a tricyclic system with two benzene rings joined by a pyridine forming a non-linear skeleton. Hydrogenated derivatives are also included.
Kingdom
Organic compounds
Super Class
Organoheterocyclic compounds
Class
Quinolines and derivatives
Sub Class
Benzoquinolines
Direct Parent
Phenanthridines and derivatives
Alternative Parents
Tetralins / Tetrahydroisoquinolines / Aralkylamines / 1-hydroxy-2-unsubstituted benzenoids / Dialkylamines / Azacyclic compounds / Organooxygen compounds / Hydrocarbon derivatives
Substituents
Phenanthridine / Tetrahydroisoquinoline / Tetralin / 1-hydroxy-2-unsubstituted benzenoid / Phenol / Aralkylamine / Benzenoid / Secondary aliphatic amine / Secondary amine / Azacycle
Molecular Framework
Aromatic heteropolycyclic compounds
External Descriptors
Not Available

Targets

Kind
Protein
Organism
Humans
Pharmacological action
Unknown
General Function
G-protein coupled amine receptor activity
Specific Function
Dopamine receptor whose activity is mediated by G proteins which activate adenylyl cyclase.
Gene Name
DRD1
Uniprot ID
P21728
Uniprot Name
D(1A) dopamine receptor
Molecular Weight
49292.765 Da
References
  1. Ryman-Rasmussen JP, Nichols DE, Mailman RB: Differential activation of adenylate cyclase and receptor internalization by novel dopamine D1 receptor agonists. Mol Pharmacol. 2005 Oct;68(4):1039-48. Epub 2005 Jun 28. [PubMed:15985612]

Drug created on October 20, 2016 19:02 / Updated on June 04, 2019 07:44