Details of the Drug

General Information of Drug (ID: DMCY8AF)

Drug Name

Arbutamine

Synonyms

Arbutamina; Arbutaminum; Genesa; Arbutamina [INN-Spanish]; Arbutamine [INN:BAN]; Arbutaminum [INN-Latin]; 4-[(1R)-1-hydroxy-2-[4-(4-hydroxyphenyl)butylamino]ethyl]benzene-1,2-diol; 4-[(1R)-1-hydroxy-2-{[4-(4-hydroxyphenyl)butyl]amino}ethyl]benzene-1,2-diol; 4-[1-hydroxy-2-[4-(4-hydroxyphenyl)butylamino]ethyl]benzene-1,2-diol

Indication

Disease Entry	ICD 11	Status	REF
Coronary artery disease	BA80	Approved	[1]
------------------------------------------------------------------------------------

Therapeutic Class

Cardiotonic Agents

Drug Type

Small molecular drug

Structure

3D MOL

2D MOL

#Ro5 Violations (Lipinski): 0

Molecular Weight (mw)

317.4

Logarithm of the Partition Coefficient (xlogp)

0.9

Rotatable Bond Count (rotbonds)

8

Hydrogen Bond Donor Count (hbonddonor)

5

Hydrogen Bond Acceptor Count (hbondacc)

5

ADMET Property

Half-life: The concentration or amount of drug in body reduced by one-half in 8 minutes [2]

Chemical Identifiers

Formula: C18H23NO4
IUPAC Name: 4-[(1R)-1-hydroxy-2-[4-(4-hydroxyphenyl)butylamino]ethyl]benzene-1,2-diol
Canonical SMILES: C1=CC(=CC=C1CCCCNC[C@@H](C2=CC(=C(C=C2)O)O)O)O
InChI: InChI=1S/C18H23NO4/c20-15-7-4-13(5-8-15)3-1-2-10-19-12-18(23)14-6-9-16(21)17(22)11-14/h4-9,11,18-23H,1-3,10,12H2/t18-/m0/s1
InChIKey: IIRWWTKISYTTBL-SFHVURJKSA-N

Cross-matching ID

PubChem CID: 60789
ChEBI ID: CHEBI:50580
CAS Number: 128470-16-6
DrugBank ID: DB01102
TTD ID: D06KYN

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	Stimulator	[3]

------------------------------------------------------------------------------------

Molecular Interaction Atlas (MIA)

MIA Detail

Jump to Detail Molecular Interaction Atlas of This Drug

Drug-Drug Interaction (DDI) Information of This Drug

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

DDI Drug Name	DDI Drug ID	Severity	Mechanism	Comorbidity	REF
Mepenzolate	DM8YU2F	Moderate	Increased risk of rapid heart rate by the combination of Arbutamine and Mepenzolate.	Digestive system disease [DE2Z]	[4]
Solifenacin	DMG592Q	Moderate	Increased risk of rapid heart rate by the combination of Arbutamine and Solifenacin.	Functional bladder disorder [GC50]	[4]
Belladonna	DM2RBWK	Moderate	Increased risk of rapid heart rate by the combination of Arbutamine and Belladonna.	Infectious gastroenteritis/colitis [1A40]	[4]
Flavoxate	DMKV4NL	Moderate	Increased risk of rapid heart rate by the combination of Arbutamine and Flavoxate.	Pain [MG30-MG3Z]	[4]
Methylscopolamine	DM5VWOB	Moderate	Increased risk of rapid heart rate by the combination of Arbutamine and Methylscopolamine.	Peptic ulcer [DA61]	[4]
-----------

References

1	Drug information of Arbutamine, 2008. eduDrugs.
2	Trend Analysis of a Database of Intravenous Pharmacokinetic Parameters in Humans for 1352 Drug Compounds
3	Characterization of the adrenergic activity of arbutamine, a novel agent for pharmacological stress testing. Cardiovasc Drugs Ther. 1996 Mar;10(1):39-47.
4	Product Information. GenESA (arbutamine). Gensia Inc, San Diego, CA.