Dabigatran

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

Identification

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Name
Dabigatran
Accession Number
DB14726
Type
Small Molecule
Groups
Investigational
Description
Not Available
Structure
Thumb
Synonyms
  • Dabigatran
External IDs
BIBR 953 ZW / BIBR-953 / BIBR-953-ZW
Categories
UNII
I0VM4M70GC
CAS number
211914-51-1
Weight
Average: 471.521
Monoisotopic: 471.201887693
Chemical Formula
C25H25N7O3
InChI Key
YBSJFWOBGCMAKL-UHFFFAOYSA-N
InChI
InChI=1S/C25H25N7O3/c1-31-20-10-7-17(25(35)32(13-11-23(33)34)21-4-2-3-12-28-21)14-19(20)30-22(31)15-29-18-8-5-16(6-9-18)24(26)27/h2-10,12,14,29H,11,13,15H2,1H3,(H3,26,27)(H,33,34)
IUPAC Name
3-[1-(2-{[(4-carbamimidoylphenyl)amino]methyl}-1-methyl-1H-1,3-benzodiazol-5-yl)-N-(pyridin-2-yl)formamido]propanoic acid
SMILES
CN1C(CNC2=CC=C(C=C2)C(N)=N)=NC2=C1C=CC(=C2)C(=O)N(CCC(O)=O)C1=NC=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 Dabigatran 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 (R)-warfarin is combined with Dabigatran.
(S)-WarfarinThe risk or severity of bleeding can be increased when (S)-Warfarin is combined with Dabigatran.
1-TestosteroneThe therapeutic efficacy of Dabigatran can be increased when used in combination with 1-Testosterone.
18-methyl-19-nortestosteroneThe therapeutic efficacy of Dabigatran can be increased when used in combination with 18-methyl-19-nortestosterone.
3,5-diiodothyropropionic acid3,5-diiodothyropropionic acid may increase the anticoagulant activities of Dabigatran.
4-hydroxycoumarinThe risk or severity of bleeding can be increased when 4-hydroxycoumarin is combined with Dabigatran.
4-HydroxytestosteroneThe therapeutic efficacy of Dabigatran can be increased when used in combination with 4-Hydroxytestosterone.
5beta-dihydrotestosteroneThe therapeutic efficacy of Dabigatran can be increased when used in combination with 5beta-dihydrotestosterone.
6-Deoxyerythronolide BThe metabolism of Dabigatran can be decreased when combined with 6-Deoxyerythronolide B.
Additional Data Available
  • Extended Description
    Extended Description

    Extended description of the mechanism of action and particular properties of each drug interaction.

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  • Severity
    Severity

    A severity rating for each drug interaction, from minor to major.

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  • Evidence Level
    Evidence Level

    A rating for the strength of the evidence supporting each drug interaction.

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  • Action
    Action

    An effect category for each drug interaction. Know how this interaction affects the subject drug.

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Food Interactions
Not Available

References

General References
Not Available
External Links
KEGG Drug
D09707
ChemSpider
187412
BindingDB
50112086
ChEBI
70752
ChEMBL
CHEMBL48361
HET
4CC
Wikipedia
Dabigatran
PDB Entries
4jn2 / 4yhi / 4yhk / 4yhm / 4yho

Clinical Trials

Clinical Trials
PhaseStatusPurposeConditionsCount
1CompletedTreatmentHealthy Volunteers1
3Not Yet RecruitingPreventionStroke, Ischemic1

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 Solubility0.0975 mg/mLALOGPS
logP2.37ALOGPS
logP0.077ChemAxon
logS-3.7ALOGPS
pKa (Strongest Acidic)3.18ChemAxon
pKa (Strongest Basic)12.52ChemAxon
Physiological Charge0ChemAxon
Hydrogen Acceptor Count8ChemAxon
Hydrogen Donor Count4ChemAxon
Polar Surface Area150.22 Å2ChemAxon
Rotatable Bond Count9ChemAxon
Refractivity143.26 m3·mol-1ChemAxon
Polarizability50.96 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
Not Available

Taxonomy

Classification
Not classified

Drug created on December 14, 2018 10:30 / Updated on May 01, 2019 12:03