ADX-10061

Identification

Generic Name
ADX-10061
DrugBank Accession Number
DB05419
Background

ADX10061 is a potent, selective antagonist of the dopamine D1 receptor. It is developed by Addex Pharmaceuticals for the treatment of nicotine dependence.

Type
Small Molecule
Groups
Investigational
Structure
Thumb
Weight
Average: 340.379
Monoisotopic: 340.142307132
Chemical Formula
C19H20N2O4
Synonyms
Not Available
External IDs
  • ADX-10061
  • CEE 03-310
  • CEE-03-310
  • CEE-310
  • NNC 01-0687
  • NNC 687
  • NNC-01-0687
  • NNC-687
  • NO 687

Pharmacology

Indication

Investigated for use/treatment in sleep disorders, smoking cessation, and substance abuse.

Pharmacology
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Contraindications & Blackbox Warnings
Contraindications
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Pharmacodynamics

Not Available

Mechanism of action

Activation of dopamine D1 receptor in the brain is implicated in reward-seeking behaviours and cue-induced craving, and is the fundamental mechanism by which nicotine causes addiction. Both reward (the “feel good” sensation a smoker gets from a cigarette) and cue (the habitual situations that trigger the craving to smoke) are important drivers of the desire to smoke. Blocking the D1 receptor will, it is hoped, reduce the association with the stimuli specific to reward-seeking behaviour that lead smokers who are trying to quit starting smoking again.

TargetActionsOrganism
UNeuron-specific vesicular protein calcyonNot 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

Adverse Effects
Medicalerrors
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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
Classification
Not classified
Affected organisms
Not Available

Chemical Identifiers

UNII
K389NU4SEV
CAS number
128022-68-4
InChI Key
XZPSYCOYKJRHKE-MRXNPFEDSA-N
InChI
InChI=1S/C19H20N2O4/c1-20-7-5-13-9-17(21(23)24)18(22)10-15(13)16(11-20)14-4-2-3-12-6-8-25-19(12)14/h2-4,9-10,16,22H,5-8,11H2,1H3/t16-/m1/s1
IUPAC Name
(5S)-5-(2,3-dihydro-1-benzofuran-7-yl)-3-methyl-8-nitro-2,3,4,5-tetrahydro-1H-3-benzazepin-7-ol
SMILES
CN1CCC2=CC(=C(O)C=C2[C@H](C1)C1=C2OCCC2=CC=C1)[N+]([O-])=O

References

General References
Not Available
PubChem Substance
347910129
ChemSpider
144027

Clinical Trials

Clinical Trials
PhaseStatusPurposeConditionsCount

Pharmacoeconomics

Manufacturers
Not Available
Packagers
Not Available
Dosage Forms
Not Available
Prices
Not Available
Patents
Not Available

Properties

State
Solid
Experimental Properties
Not Available
Predicted Properties
PropertyValueSource
Water Solubility0.0625 mg/mLALOGPS
logP3.29ALOGPS
logP2.04ChemAxon
logS-3.7ALOGPS
pKa (Strongest Acidic)6.66ChemAxon
pKa (Strongest Basic)8.8ChemAxon
Physiological Charge0ChemAxon
Hydrogen Acceptor Count5ChemAxon
Hydrogen Donor Count1ChemAxon
Polar Surface Area75.84 Å2ChemAxon
Rotatable Bond Count2ChemAxon
Refractivity95.31 m3·mol-1ChemAxon
Polarizability34.96 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
Not Available

Targets

Drugtargets
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Kind
Protein
Organism
Humans
Pharmacological action
Unknown
General Function
Clathrin light chain binding
Specific Function
Interacts with clathrin light chain A and stimulates clathrin self-assembly and clathrin-mediated endocytosis.
Gene Name
CALY
Uniprot ID
Q9NYX4
Uniprot Name
Neuron-specific vesicular protein calcyon
Molecular Weight
23433.49 Da

Drug created on November 18, 2007 18:24 / Updated on May 10, 2021 12:35