Darexaban

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

Identification

Name
Darexaban
Accession Number
DB12289
Type
Small Molecule
Groups
Investigational
Description

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

Structure
Thumb
Synonyms
Not Available
External IDs
YM-150 / YM150
Product Ingredients
IngredientUNIICASInChI Key
Darexaban Maleate03RTP2436R365462-24-4WHMPMUVISXATBH-BTJKTKAUSA-N
Categories
UNII
KF322K101S
CAS number
365462-23-3
Weight
Average: 474.561
Monoisotopic: 474.226705462
Chemical Formula
C27H30N4O4
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

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
DrugInteraction
(1,2,6,7-3H)TestosteroneThe therapeutic efficacy of Darexaban can be increased when used in combination with (1,2,6,7-3H)Testosterone.
(R)-warfarinThe risk or severity of bleeding can be increased when Darexaban is combined with (R)-warfarin.
(S)-WarfarinThe risk or severity of bleeding can be increased when Darexaban is combined with (S)-Warfarin.
1-TestosteroneThe therapeutic efficacy of Darexaban can be increased when used in combination with 1-Testosterone.
18-methyl-19-nortestosteroneThe therapeutic efficacy of Darexaban can be increased when used in combination with 18-methyl-19-nortestosterone.
4-hydroxycoumarinThe risk or severity of bleeding can be increased when Darexaban is combined with 4-hydroxycoumarin.
4-HydroxytestosteroneThe therapeutic efficacy of Darexaban can be increased when used in combination with 4-Hydroxytestosterone.
5beta-dihydrotestosteroneThe therapeutic efficacy of Darexaban can be increased when used in combination with 5beta-dihydrotestosterone.
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.
Food Interactions
Not Available

References

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

Clinical Trials

Clinical Trials
PhaseStatusPurposeConditionsCount
1CompletedNot AvailableHealthy Elderly Subjects / Pharmacokinetics of YM1501
1CompletedNot AvailableHealthy Volunteers / Pharmacodynamic Interaction2
1CompletedNot AvailableHealthy Volunteers / Pharmacodynamic and Pharmacokinetic Interaction1
1CompletedNot AvailableHealthy Volunteers / Pharmacokinetics of Darexaban and Metabolites2
1CompletedNot AvailableHealthy Volunteers / Pharmacokinetics of Digoxin1
1CompletedNot AvailableHealthy Volunteers / Pharmacokinetics of YM1503
1CompletedBasic ScienceCaucasian / Healthy Volunteers / Japanese / Pharmacodynamics / Pharmacokinetics1
1CompletedBasic ScienceHealthy Male Subjects / Pharmacokinetics1
2CompletedPreventionAcute Coronary Syndromes (ACS)1
2CompletedPreventionArthroplasty, Replacement, Knee1
2CompletedPreventionNonvalvular Atrial Fibrillation2
2CompletedPreventionThromboembolism2
2, 3CompletedPreventionArthroplasty, Replacement, Hip / Venous Thromboembolism (VTE)1
2, 3CompletedPreventionVenous Thromboembolism (VTE)2
3CompletedPreventionVenous Thromboembolism (VTE)4

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/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 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
show 8 more
Substituents
Benzanilide / Aminobenzoic acid or derivatives / Benzamide / Benzoic acid or derivatives / Benzoyl / Phenol ether / Tertiary aliphatic/aromatic amine / Dialkylarylamine / Aniline or substituted anilines / Phenoxy compound
show 25 more
Molecular Framework
Aromatic heteromonocyclic compounds
External Descriptors
Not Available

Drug created on October 20, 2016 15:50 / Updated on November 02, 2018 09:04