Details of the Drug

General Information of Drug (ID: DMRDZ4X)

Drug Name

Dabigatran etexilate

Synonyms

BIBR-1048; 211915-06-9; Dabigatran etexilate mesilate; ethyl N-[(2-{[(4-{N'-[(hexyloxy)carbonyl]carbamimidoyl}phenyl)amino]methyl}-1-methyl-1H-benzimidazol-5-yl)carbonyl]-N-pyridin-2-yl-beta-alaninate; Dabigatran etexilate methanesulfonate; BIBR-1048 (Dabigatran); UNII-2E18WX195X; BIBR1048; BIBR-1048-BS-RS1; CHEBI:70746; 2E18WX195X; cc-72; DSSTox_CID_31470; DSSTox_RID_97355; DSSTox_GSID_57681; SCHEMBL505829; DTXSID4057681; Dabigatran etexilate (USAN/INN); MolPort-016-633-287; EBD35035; Tox21_113924; BDBM504

Indication

Disease Entry	ICD 11	Status	REF
Venous thromboembolism	BD72	Phase 3	[1]

Structure

3D MOL is unavailable

2D MOL

#Ro5 Violations (Lipinski): 3

Molecular Weight (mw)

627.7

Topological Polar Surface Area (xlogp)

5.3

Rotatable Bond Count (rotbonds)

Hydrogen Bond Donor Count (hbonddonor)

Hydrogen Bond Acceptor Count (hbondacc)

ADMET Property

Bioavailability: The bioavailability of drug is 3-7% [2]
Elimination: Dabigatran is primarily eliminated in the urine, 7% of the radioactivity is recovered in urine and 86% is recovered in feces [2]
Half-life: The concentration or amount of drug in body reduced by one-half in 12 - 17 hours [2]
Metabolism: The drug is metabolized via plasma [3]
Vd: The volume of distribution (Vd) of drug is 50-70 L [2]

Chemical Identifiers

Formula: C34H41N7O5
IUPAC Name: ethyl 3-[[2-[[4-(N-hexoxycarbonylcarbamimidoyl)anilino]methyl]-1-methylbenzimidazole-5-carbonyl]-pyridin-2-ylamino]propanoate
Canonical SMILES: CCCCCCOC(=O)NC(=N)C1=CC=C(C=C1)NCC2=NC3=C(N2C)C=CC(=C3)C(=O)N(CCC(=O)OCC)C4=CC=CC=N4
InChI: InChI=1S/C34H41N7O5/c1-4-6-7-10-21-46-34(44)39-32(35)24-12-15-26(16-13-24)37-23-30-38-27-22-25(14-17-28(27)40(30)3)33(43)41(20-18-31(42)45-5-2)29-11-8-9-19-36-29/h8-9,11-17,19,22,37H,4-7,10,18,20-21,23H2,1-3H3,(H2,35,39,44)
InChIKey: KSGXQBZTULBEEQ-UHFFFAOYSA-N

Cross-matching ID

PubChem CID: 135565674
CAS Number: 211915-06-9
DrugBank ID: DB06695
TTD ID: D0KI5R
INTEDE ID: DR0400
ACDINA ID: D00162

Molecular Interaction Atlas of This Drug

Drug-Metabolizing Enzyme (DME)

DME Name	DME ID	UniProt ID	MOA	REF
UDP-glucuronosyltransferase 2B7 (UGT2B7)	DEB3CV1	UD2B7_HUMAN	Substrate	[4]
UDP-glucuronosyltransferase 1A9 (UGT1A9)	DE85D2P	UD19_HUMAN	Substrate	[4]
Carboxylesterase 1 (CES1)_{Main DME}	DEB30C5	EST1_HUMAN	Substrate	[5]
Carboxylesterase 2 (CES2)_{Main DME}	DETHCPD	EST2_HUMAN	Substrate	[5]

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Molecular Interaction Atlas (MIA)

MIA Detail

Jump to Detail Molecular Interaction Atlas of This Drug

Drug Inactive Ingredient(s) (DIG) and Formulation(s) of This Drug

DIG

DIG Name	DIG ID	PubChem CID	Functional Classification
FD&C blue no. 2	E00446	2723854	Colorant
Isopropyl alcohol	E00070	3776	Antimicrobial preservative; Solvent
Potassium chloride	E00074	4873	Tonicity agent
Sunset yellow FCF	E00255	17730	Colorant
Butyl alcohol	E00011	263	Flavoring agent; Solvent
Ferrosoferric oxide	E00231	14789	Colorant
Hydroxypropyl cellulose	E00632	Not Available	Binding agent; Coating agent; Emulsifying agent; Film/Membrane-forming agent; Modified-release agent; Suspending agent; Viscosity-controlling agent
Hypromellose	E00634	Not Available	Coating agent
Propylene glycol	E00040	1030	Antimicrobial preservative; Humectant; Plasticizing agent; Solvent
Talc	E00520	16211421	Anticaking agent; Diluent; Glidant; lubricant
Tartaric acid	E00029	875	Acidulant; Complexing agent; Flavoring agent
Titanium dioxide	E00322	26042	Coating agent; Colorant; Opacifying agent
Water	E00035	962	Solvent
Carrageenan	E00714	Not Available	Emulsion stabilizing agent; Gelling agent; Microencapsulating agent; Modified-release agent; Suspending agent; Viscosity-controlling agent
Dimethicone 350	E00706	Not Available	Antifoaming agent; Emollient; Water-repelling agent
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⏷ Show the Full List of 15 Pharmaceutical Excipients of This Drug

Pharmaceutical Formulation

Formulation Name	Drug Dosage	Dosage Form	Route
Dabigatran etexilate 150 mg capsule	150 mg	Oral Capsule	Oral
Dabigatran Etexilate Mesylate eq 110mg base capsule	eq 110mg base	Capsule	Oral
Dabigatran Etexilate Mesylate eq 150mg base capsule	eq 150mg base	Capsule	Oral
Dabigatran Etexilate Mesylate eq 75mg base capsule	eq 75mg base	Capsule	Oral

Jump to Detail Pharmaceutical Formulation Page of This Drug

References

1	Clinical pipeline report, company report or official report of the Pharmaceutical Research and Manufacturers of America (PhRMA)
2	FDA Approved Drug Products: PRADAXA (dabigatran) oral pellets
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