NAV

ABT-384

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

Identification

Generic Name
ABT-384
DrugBank Accession Number
DB12501
Background

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

Type
Small Molecule
Groups
Investigational
Structure
Similar Structures
Weight
Average: 493.575
Monoisotopic: 493.266459844
Chemical Formula
C25H34F3N5O2
Synonyms
Not Available
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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 Browse all" title="About SNP Mediated Effects/ADRs" id="snp-actions-info" class="drug-info-popup" href="javascript:void(0);">
Not Available

Interactions

Drug Interactions Learn More" title="About Drug Interactions" id="structured-interactions-info" class="drug-info-popup" href="javascript:void(0);">
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
Chemical TaxonomyProvided by Classyfire
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
Alkyl fluoride / Alkyl halide / Alpha-amino acid amide / Alpha-amino acid or derivatives / Amine / Amino acid or derivatives / Aminopyridine / Aromatic heteropolycyclic compound / Azacycle / Carbonyl group
show 23 more
Molecular Framework
Aromatic heteropolycyclic compounds
External Descriptors
Not Available
Affected organisms
Not Available

Chemical Identifiers

UNII
R5TH77F919
CAS number
868623-40-9
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

References

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

Clinical Trials

Clinical Trials Learn More" title="About Clinical Trials" id="clinical-trials-info" class="drug-info-popup" href="javascript:void(0);">
PhaseStatusPurposeConditionsCount
2CompletedTreatmentAlzheimer's Disease (AD)1
1CompletedTreatmentHealthy Subjects (HS)2

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/MSsplash10-0006-0000900000-39495acd1d4eb2ee89f9
Predicted MS/MS Spectrum - 10V, Negative (Annotated)Predicted LC-MS/MSsplash10-0006-0000900000-c1345fc5e0290fe58800
Predicted MS/MS Spectrum - 20V, Positive (Annotated)Predicted LC-MS/MSsplash10-0f6w-0114900000-e72746bfafb2cd898b52
Predicted MS/MS Spectrum - 20V, Negative (Annotated)Predicted LC-MS/MSsplash10-0006-3142900000-0a91732908db83078cf6
Predicted MS/MS Spectrum - 40V, Positive (Annotated)Predicted LC-MS/MSsplash10-05q0-2794100000-77d6fcb563899d8ca9fa
Predicted MS/MS Spectrum - 40V, Negative (Annotated)Predicted LC-MS/MSsplash10-0006-4391300000-91bf5b1f4984ab94495f
Predicted 1H NMR Spectrum1D NMRNot Applicable
Predicted 13C NMR Spectrum1D NMRNot Applicable
Chromatographic Properties
Collision Cross Sections (CCS)
AdductCCS Value (Å2)Source typeSource
[M-H]-203.82138
predicted
DeepCCS 1.0 (2019)
[M+H]+206.21693
predicted
DeepCCS 1.0 (2019)
[M+Na]+212.11292
predicted
DeepCCS 1.0 (2019)

Drug created at October 20, 2016 22:38 / Updated at June 12, 2020 16:53