Details of the Drug

General Information of Drug (ID: DMGUX67)

• Drug Name: Ibopamine hci
• Synonyms: Inopamil (TN); Scandine (TN)

Indication

Disease Entry	ICD 11	Status	REF
Cardiac disease	BA00-BE2Z	Approved	[1]

• Drug Type: Small molecular drug
• #Ro5 Violations (Lipinski): 0:
  Molecular Weight; 343.8
  Logarithm of the Partition Coefficient; Not Available
  Rotatable Bond Count; 9
  Hydrogen Bond Donor Count; 2
  Hydrogen Bond Acceptor Count; 5
• Chemical Identifiers:
  Formula: C17H26ClNO4
  IUPAC Name: [4-[2-(methylamino)ethyl]-2-(2-methylpropanoyloxy)phenyl] 2-methylpropanoate;hydrochloride
  Canonical SMILES: CC(C)C(=O)OC1=C(C=C(C=C1)CCNC)OC(=O)C(C)C.Cl
  InChI: InChI=1S/C17H25NO4.ClH/c1-11(2)16(19)21-14-7-6-13(8-9-18-5)10-15(14)22-17(20)12(3)4;/h6-7,10-12,18H,8-9H2,1-5H3;1H
  InChIKey: ALIXRWKJZYLBJI-UHFFFAOYSA-N
• Cross-matching ID:
  PubChem CID: 156320
  CAS Number: 75011-65-3
  TTD ID: D0U9QU

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 disease
• ICD Disease Classification: BA00-BE2Z

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.