ABT-384

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

Identification

Name
ABT-384
Accession Number
DB12501
Type
Small Molecule
Groups
Investigational
Description

ABT-384 has been used in trials studying the treatment of Alzheimer's Disease.

Structure
Thumb
Synonyms
Not Available
Categories
UNII
R5TH77F919
CAS number
868623-40-9
Weight
Average: 493.575
Monoisotopic: 493.266459844
Chemical Formula
C25H34F3N5O2
InChI Key
CLHMYBJIOZXCEX-MALZWFGSSA-N
InChI
InChI=1S/C25H34F3N5O2/c1-23(2,33-7-5-32(6-8-33)19-4-3-18(14-30-19)25(26,27)28)22(35)31-20-16-9-15-10-17(20)13-24(11-15,12-16)21(29)34/h3-4,14-17,20H,5-13H2,1-2H3,(H2,29,34)(H,31,35)/t15?,16?,17?,20-,24+
IUPAC Name
(1s,4r)-4-(2-methyl-2-{4-[5-(trifluoromethyl)pyridin-2-yl]piperazin-1-yl}propanamido)adamantane-1-carboxamide
SMILES
CC(C)(N1CCN(CC1)C1=NC=C(C=C1)C(F)(F)F)C(=O)N[C@H]1C2CC3CC1C[C@@](C3)(C2)C(N)=O

Pharmacology

Indication
Not Available
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
Toxicity
Not Available
Affected organisms
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

References

General References
Not Available
External Links
PubChem Compound
11670435
PubChem Substance
347828734
ChemSpider
58827790

Clinical Trials

Clinical Trials
PhaseStatusPurposeConditionsCount
1CompletedTreatmentHealthy Volunteers2
2CompletedTreatmentAlzheimer's Disease (AD)1

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 Solubility0.0482 mg/mLALOGPS
logP2.9ALOGPS
logP2.94ChemAxon
logS-4ALOGPS
pKa (Strongest Acidic)15.1ChemAxon
pKa (Strongest Basic)6.46ChemAxon
Physiological Charge0ChemAxon
Hydrogen Acceptor Count5ChemAxon
Hydrogen Donor Count2ChemAxon
Polar Surface Area91.56 Å2ChemAxon
Rotatable Bond Count6ChemAxon
Refractivity126.14 m3·mol-1ChemAxon
Polarizability50.12 Å3ChemAxon
Number of Rings5ChemAxon
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

Taxonomy

Description
This compound belongs to the class of organic compounds known as pyridinylpiperazines. These are compounds containing a pyridinylpiperazine skeleton, which consists of a pyridine linked (not fused) to a piperazine by a bond by a single bond that is not part of a ring.
Kingdom
Organic compounds
Super Class
Organoheterocyclic compounds
Class
Diazinanes
Sub Class
Piperazines
Direct Parent
Pyridinylpiperazines
Alternative Parents
Alpha amino acid amides / N-arylpiperazines / N-piperazineacetamides / Dialkylarylamines / Aminopyridines and derivatives / N-alkylpiperazines / Imidolactams / Heteroaromatic compounds / Trialkylamines / Secondary carboxylic acid amides
show 8 more
Substituents
Alpha-amino acid amide / Pyridinylpiperazine / N-arylpiperazine / Alpha-amino acid or derivatives / N-piperazineacetamide / Dialkylarylamine / Aminopyridine / N-alkylpiperazine / Pyridine / Imidolactam
show 23 more
Molecular Framework
Aromatic heteropolycyclic compounds
External Descriptors
Not Available

Drug created on October 20, 2016 16:38 / Updated on March 01, 2020 21:13

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