Darexaban

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

Identification

Generic Name
Darexaban
DrugBank Accession Number
DB12289
Background

Darexaban has been used in trials studying the prevention and basic science of Japanese, Caucasian, Thromboembolism, Pharmacodynamics, and Pharmacokinetics, among others.

Type
Small Molecule
Groups
Investigational
Structure
Weight
Average: 474.561
Monoisotopic: 474.226705462
Chemical Formula
C27H30N4O4
Synonyms
  • Darexaban
External IDs
  • YM-150
  • YM150

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
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.
DrugInteraction
AbciximabThe risk or severity of bleeding can be increased when Abciximab is combined with Darexaban.
AceclofenacThe risk or severity of bleeding and hemorrhage can be increased when Aceclofenac is combined with Darexaban.
AcemetacinThe risk or severity of bleeding and hemorrhage can be increased when Darexaban is combined with Acemetacin.
AcenocoumarolThe risk or severity of bleeding can be increased when Acenocoumarol is combined with Darexaban.
Acetylsalicylic acidAcetylsalicylic acid may increase the anticoagulant activities of Darexaban.
Food Interactions
  • Avoid herbs and supplements with anticoagulant/antiplatelet activity. Examples include garlic, ginger, bilberry, danshen, piracetam, and ginkgo biloba.

Products

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Product Ingredients
IngredientUNIICASInChI Key
Darexaban Maleate03RTP2436R365462-24-4WHMPMUVISXATBH-BTJKTKAUSA-N

Categories

Drug Categories
Chemical TaxonomyProvided by Classyfire
Description
This compound belongs to the class of organic compounds known as benzanilides. These are aromatic compounds containing an anilide group in which the carboxamide group is substituted with a benzene ring. They have the general structure RNC(=O)R', where R,R'= benzene.
Kingdom
Organic compounds
Super Class
Benzenoids
Class
Benzene and substituted derivatives
Sub Class
Anilides
Direct Parent
Benzanilides
Alternative Parents
Aminobenzoic acids and derivatives / Benzamides / Aniline and substituted anilines / Anisoles / Benzoyl derivatives / Dialkylarylamines / Methoxybenzenes / Phenoxy compounds / 1-hydroxy-2-unsubstituted benzenoids / 1,4-diazepanes
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Substituents
1,4-diazepane / 1-hydroxy-2-unsubstituted benzenoid / 1-hydroxy-4-unsubstituted benzenoid / Alkyl aryl ether / Amine / Amino acid or derivatives / Aminobenzoic acid or derivatives / Aniline or substituted anilines / Anisole / Aromatic heteromonocyclic compound
show 25 more
Molecular Framework
Aromatic heteromonocyclic compounds
External Descriptors
Not Available
Affected organisms
Not Available

Chemical Identifiers

UNII
KF322K101S
CAS number
365462-23-3
InChI Key
IJNIQYINMSGIPS-UHFFFAOYSA-N
InChI
InChI=1S/C27H30N4O4/c1-30-15-4-16-31(18-17-30)21-11-7-19(8-12-21)27(34)29-25-23(5-3-6-24(25)32)28-26(33)20-9-13-22(35-2)14-10-20/h3,5-14,32H,4,15-18H2,1-2H3,(H,28,33)(H,29,34)
IUPAC Name
N-[2-hydroxy-6-(4-methoxybenzamido)phenyl]-4-(4-methyl-1,4-diazepan-1-yl)benzamide
SMILES
COC1=CC=C(C=C1)C(=O)NC1=C(NC(=O)C2=CC=C(C=C2)N2CCCN(C)CC2)C(O)=CC=C1

References

General References
Not Available
PubChem Compound
9912771
PubChem Substance
347828557
ChemSpider
8088422
BindingDB
50358252
ChEMBL
CHEMBL1922235
ZINC
ZINC000070647134
Wikipedia
Darexaban

Clinical Trials

Clinical Trials
PhaseStatusPurposeConditionsCount
3CompletedPreventionVenous Thromboembolism4
2CompletedPreventionAcute Coronary Syndrome (ACS)1
2CompletedPreventionArthroplasties, Replacement, Knee1
2CompletedPreventionAtrial Fibrillation2
2CompletedPreventionThromboembolism2

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 Solubility0.0291 mg/mLALOGPS
logP4.03ALOGPS
logP2.96Chemaxon
logS-4.2ALOGPS
pKa (Strongest Acidic)8.32Chemaxon
pKa (Strongest Basic)8.95Chemaxon
Physiological Charge1Chemaxon
Hydrogen Acceptor Count6Chemaxon
Hydrogen Donor Count3Chemaxon
Polar Surface Area94.14 Å2Chemaxon
Rotatable Bond Count6Chemaxon
Refractivity140.91 m3·mol-1Chemaxon
Polarizability52.36 Å3Chemaxon
Number of Rings4Chemaxon
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/MSsplash10-000i-0900000000-ef0759aa6d18e159792a
Predicted MS/MS Spectrum - 10V, Negative (Annotated)Predicted LC-MS/MSsplash10-00di-0300900000-52d73de07ba91b689f21
Predicted MS/MS Spectrum - 20V, Positive (Annotated)Predicted LC-MS/MSsplash10-052r-0900100000-51a25e12d765a8dd07c6
Predicted MS/MS Spectrum - 20V, Negative (Annotated)Predicted LC-MS/MSsplash10-00rj-1417900000-bb0ba4af197055c07d72
Predicted MS/MS Spectrum - 40V, Positive (Annotated)Predicted LC-MS/MSsplash10-0aor-2930500000-73ecd4632b86834438f5
Predicted MS/MS Spectrum - 40V, Negative (Annotated)Predicted LC-MS/MSsplash10-054o-6121900000-34dcd4efc2508e345b5b
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]-207.4847
predicted
DeepCCS 1.0 (2019)
[M+H]+209.88026
predicted
DeepCCS 1.0 (2019)
[M+Na]+215.79279
predicted
DeepCCS 1.0 (2019)

Drug created at October 20, 2016 21:50 / Updated at February 21, 2021 18:53