DAR-0100A

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

Identification

Generic Name
DAR-0100A
DrugBank Accession Number
DB16139
Background

DAR-0100A is under investigation in clinical trial NCT01466205 (Clinical Testing of a D1 Agonist for Cognitive Enhancement in Schizotypal Personality Disorder).

Type
Small Molecule
Groups
Investigational
Structure
Weight
Average: 267.328
Monoisotopic: 267.125928791
Chemical Formula
C17H17NO2
Synonyms
  • Dihydrexidine, (+)-
External IDs
  • DAR-0100A

Pharmacology

Indication

Not Available

Reduce drug development failure rates
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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

Categories

Drug Categories
Classification
Not classified
Affected organisms
Not Available

Chemical Identifiers

UNII
Q3PJ4B4D0X
CAS number
174691-84-0
InChI Key
BGOQGUHWXBGXJW-RHSMWYFYSA-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-/m1/s1
IUPAC Name
(6aR,12bS)-5H,6H,6aH,7H,8H,12bH-benzo[a]phenanthridine-10,11-diol
SMILES
[H][C@@]12CCC3=C(C=C(O)C(O)=C3)[C@@]1([H])C1=C(CN2)C=CC=C1

References

General References
Not Available
ChemSpider
5036130
BindingDB
50010686
ChEBI
124993
ChEMBL
CHEMBL25856
ZINC
ZINC000025758512

Clinical Trials

Clinical Trials
PhaseStatusPurposeConditionsCount
2Unknown StatusTreatmentCognitive Impairment (CI) / Schizotypal Personality Disorder1

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/MSsplash10-014i-0090000000-0d4f3622a7edae5346da
Predicted MS/MS Spectrum - 10V, Negative (Annotated)Predicted LC-MS/MSsplash10-014i-0090000000-3c6988fbe495c2f1e43f
Predicted MS/MS Spectrum - 20V, Positive (Annotated)Predicted LC-MS/MSsplash10-014i-0090000000-f8fc095943492de6c18b
Predicted MS/MS Spectrum - 20V, Negative (Annotated)Predicted LC-MS/MSsplash10-014i-0090000000-644cc5554c627b9a2f08
Predicted MS/MS Spectrum - 40V, Positive (Annotated)Predicted LC-MS/MSsplash10-0w33-0940000000-a626babea38d6179489a
Predicted MS/MS Spectrum - 40V, Negative (Annotated)Predicted LC-MS/MSsplash10-00dl-0950000000-263b7eb6c2fc43d14195
Predicted 1H NMR Spectrum1D NMRNot Applicable
Predicted 13C NMR Spectrum1D NMRNot Applicable
Chromatographic Properties
Collision Cross Sections (CCS)
Not Available

Drug created at December 15, 2020 18:13 / Updated at December 20, 2020 03:37