Details of the Drug

General Information of Drug (ID: DMSCIKZ)

• Drug Name: Dopexamine
• Synonyms: Dopacard (TN)

Indication

Disease Entry	ICD 11	Status	REF
Cardiac failure	BD10-BD13	Approved	[1]

• ATC Code:
  C01CA14: Dopexamine
  C01CA: Adrenergic and dopaminergic agents
  C01C: CARDIAC STIMULANTS EXCL. CARDIAC GLYCOSIDES
  C01: CARDIAC THERAPY
  C: CARDIOVASCULAR SYSTEM
• Drug Type: Small molecular drug
• #Ro5 Violations (Lipinski): 1:
  Molecular Weight (mw); 356.5
  Logarithm of the Partition Coefficient (xlogp); 2.5
  Rotatable Bond Count (rotbonds); 13
  Hydrogen Bond Donor Count (hbonddonor); 4
  Hydrogen Bond Acceptor Count (hbondacc); 4
• Chemical Identifiers:
  Formula: C22H32N2O2
  IUPAC Name: 4-[2-[6-(2-phenylethylamino)hexylamino]ethyl]benzene-1,2-diol
  Canonical SMILES: C1=CC=C(C=C1)CCNCCCCCCNCCC2=CC(=C(C=C2)O)O
  InChI: InChI=1S/C22H32N2O2/c25-21-11-10-20(18-22(21)26)13-17-24-15-7-2-1-6-14-23-16-12-19-8-4-3-5-9-19/h3-5,8-11,18,23-26H,1-2,6-7,12-17H2
  InChIKey: RYBJORHCUPVNMB-UHFFFAOYSA-N
• Cross-matching ID:
  PubChem CID: 55483
  ChEBI ID: CHEBI:135507
  CAS Number: 86197-47-9
  UNII: 398E7Z7JB5
  DrugBank ID: DB12313
  TTD ID: D0V7XF

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Dopamine D2 receptor (D2R)	TTEX248	DRD2_HUMAN	Modulator	[2]

Molecular Expression Atlas of This Drug

• The Studied Disease: Cardiac failure
• ICD Disease Classification: BD10-BD13

Molecule Name	Molecule Type	Gene Name	p-value	Fold-Change	Z-score
Dopamine D2 receptor (D2R)	DTT	DRD2	2.50E-02	-0.08	-0.49

References

• [1] Drugs@FDA. U.S. Food and Drug Administration. U.S. Department of Health & Human Services. 2015
• [2] Natural products as sources of new drugs over the last 25 years. J Nat Prod. 2007 Mar;70(3):461-77.