Details of the Drug

General Information of Drug (ID: DMD1B8Z)

• Drug Name: Dobutamine
• Synonyms: Dobutamina; Dobutaminum; Dobutamine Hcl; Dobutamine [USAN]; Dobutamine hydrobromide; LY 81929; Lilly 81929; DL-dobutamine; Dobutamina [INN-Spanish]; Dobutamine Hcl in Dextrose 5%; Dobutamine(usp); Dobutaminum [INN-Latin]; Rac-dobutamine; Racemic-Dobutamine; Dobutamine (USP/INN); Dobutamine [USAN:BAN:INN]; Dobutamine Tartrate (1:1), (S-(R*,R*))-Isomer; (+-)-4-(2-((3-(p-Hydroxyphenyl)-1-methylpropyl)amino)ethyl)pyrocatechol; 3,4-dihydroxy-N-[3-(4-hydroxyphenyl)-1-methylpropyl]-beta-phenylethylamine; 4-(2-{[3-(4-hydroxyphenyl)-1-methylpropyl]amino}ethyl)benzene-1,2-diol; 4-(2-{[4-(4-hydroxyphenyl)butan-2-yl]amino}ethyl)benzene-1,2-diol; 4-[2-[4-(4-hydroxyphenyl)butan-2-ylamino]ethyl]benzene-1,2-diol

Indication

Disease Entry	ICD 11	Status	REF
Heart failure	BD10-BD13	Approved	[1], [2]

• Therapeutic Class: Cardiotonic Agents
• Drug Type: Small molecular drug
• #Ro5 Violations (Lipinski): 0:
  Molecular Weight (mw); 301.4
  Topological Polar Surface Area (xlogp); 3.4
  Rotatable Bond Count (rotbonds); 7
  Hydrogen Bond Donor Count (hbonddonor); 4
  Hydrogen Bond Acceptor Count (hbondacc); 4
• ADMET Property:
  BDDCS Class: Biopharmaceutics Drug Disposition Classification System (BDDCS) Class 1: high solubility and high permeability [3]
  Clearance: The drug present in the plasma can be removed from the body at the rate of 115 mL/min/kg [4]
  Elimination: 0.1% of drug is excreted from urine in the unchanged form [3]
  Half-life: The concentration or amount of drug in body reduced by one-half in 2 minutes [4]
  MRTD: The Maximum Recommended Therapeutic Dose (MRTD) of drug that ensured maximising efficacy and moderate side effect is 0.13272 micromolar/kg/day [5]
• Chemical Identifiers:
  Formula: C18H23NO3
  IUPAC Name: 4-[2-[4-(4-hydroxyphenyl)butan-2-ylamino]ethyl]benzene-1,2-diol
  Canonical SMILES: CC(CCC1=CC=C(C=C1)O)NCCC2=CC(=C(C=C2)O)O
  InChI: InChI=1S/C18H23NO3/c1-13(2-3-14-4-7-16(20)8-5-14)19-11-10-15-6-9-17(21)18(22)12-15/h4-9,12-13,19-22H,2-3,10-11H2,1H3
  InChIKey: JRWZLRBJNMZMFE-UHFFFAOYSA-N
• Cross-matching ID:
  PubChem CID: 36811
  ChEBI ID: CHEBI:4670
  CAS Number: 34368-04-2
  DrugBank ID: DB00841
  TTD ID: D0J7RK
  INTEDE ID: DR1758

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Adrenergic receptor beta-1 (ADRB1)	TTR6W5O	ADRB1_HUMAN	Agonist	[6], [7]

Drug-Metabolizing Enzyme (DME)

DME Name	DME ID	UniProt ID	MOA	REF
Catechol O-methyltransferase (COMT) Main DME	DEV3T4A	COMT_HUMAN	Substrate	[8]

Drug-Drug Interaction (DDI) Information of This Drug

Coadministration of a Drug Treating the Same Disease as Dobutamine

DDI Drug Name	DDI Drug ID	Severity	Mechanism	Disease	REF
Carvedilol	DMHTEAO	Moderate	Additive hypotensive effects by the combination of Dobutamine and Carvedilol.	Heart failure [BD10-BD1Z]	[20]

Coadministration of a Drug Treating the Disease Different from Dobutamine (Comorbidity)

DDI Drug Name	DDI Drug ID	Severity	Mechanism	Comorbidity	REF
Methylene blue	DMJAPE7	Moderate	Additive hypertensive effects by the combination of Dobutamine and Methylene blue.	Acquired methaemoglobinaemia [3A93]	[21]
Droxidopa	DM5YF4M	Moderate	Additive hypertensive effects by the combination of Dobutamine and Droxidopa.	Autonomic nervous system disorder [8D87]	[22]
Levomilnacipran	DMV26S8	Moderate	Increased risk of rapid heart rate by the combination of Dobutamine and Levomilnacipran.	Chronic pain [MG30]	[23]
Selegiline	DM6034S	Moderate	Additive hypertensive effects by the combination of Dobutamine and Selegiline.	Depression [6A70-6A7Z]	[21]
Isocarboxazid	DMAF1NB	Moderate	Additive hypertensive effects by the combination of Dobutamine and Isocarboxazid.	Depression [6A70-6A7Z]	[21]
Milnacipran	DMBFE74	Moderate	Increased risk of rapid heart rate by the combination of Dobutamine and Milnacipran.	Depression [6A70-6A7Z]	[23]
Desvenlafaxine	DMHD4PE	Moderate	Additive hypertensive effects by the combination of Dobutamine and Desvenlafaxine.	Depression [6A70-6A7Z]	[23]
Procarbazine	DMIK367	Moderate	Additive hypertensive effects by the combination of Dobutamine and Procarbazine.	Hodgkin lymphoma [2B30]	[21]
Ozanimod	DMT6AM2	Moderate	Additive hypertensive effects by the combination of Dobutamine and Ozanimod.	Multiple sclerosis [8A40]	[21]
Sibutramine	DMFJTDI	Moderate	Additive hypertensive effects by the combination of Dobutamine and Sibutramine.	Obesity [5B80-5B81]	[24]
Opicapone	DM1BKA6	Moderate	Decreased metabolism of Dobutamine caused by Opicapone mediated inhibition of non-CYP450 enzyme.	Parkinsonism [8A00]	[25]
Rasagiline	DM3WKQ4	Moderate	Additive hypertensive effects by the combination of Dobutamine and Rasagiline.	Parkinsonism [8A00]	[21]

References

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• [2] FDA Approved Drug Products from FDA Official Website. 2009. Application Number: (ANDA) 074086.
• [3] BDDCS applied to over 900 drugs
• [4] Trend Analysis of a Database of Intravenous Pharmacokinetic Parameters in Humans for 1352 Drug Compounds
• [5] Estimating the safe starting dose in phase I clinical trials and no observed effect level based on QSAR modeling of the human maximum recommended daily dose
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• [23] Product Information. Cymbalta (duloxetine). Lilly, Eli and Company, Indianapolis, IN.
• [24] Product Information. Meridia (sibutramine). Knoll Pharmaceutical Company, Whippany, NJ.
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