Details of the Drug

General Information of Drug (ID: DMWH9CN)

• Drug Name: Ridogrel
• Synonyms: Ibidel; R-68070; Ridogrel (USAN/INN); 5-[(E)-[pyridin-3-yl-[3-(trifluoromethyl)phenyl]methylidene]amino]oxypentanoic acid

Indication

Disease Entry	ICD 11	Status	REF
Acute myocardial infarction	BA41	Approved	[1]

• Therapeutic Class: Gastrointestinal Agents
• Affected Organisms: Humans and other mammals
• Drug Type: Small molecular drug
• #Ro5 Violations (Lipinski): 0:
  Molecular Weight (mw); 366.3
  Logarithm of the Partition Coefficient (xlogp); 3.9
  Rotatable Bond Count (rotbonds); 8
  Hydrogen Bond Donor Count (hbonddonor); 1
  Hydrogen Bond Acceptor Count (hbondacc); 8
• Chemical Identifiers:
  Formula: C18H17F3N2O3
  IUPAC Name: 5-[(E)-[pyridin-3-yl-[3-(trifluoromethyl)phenyl]methylidene]amino]oxypentanoic acid
  Canonical SMILES: C1=CC(=CC(=C1)C(F)(F)F)/C(=N\\OCCCCC(=O)O)/C2=CN=CC=C2
  InChI: InChI=1S/C18H17F3N2O3/c19-18(20,21)15-7-3-5-13(11-15)17(14-6-4-9-22-12-14)23-26-10-2-1-8-16(24)25/h3-7,9,11-12H,1-2,8,10H2,(H,24,25)/b23-17+
  InChIKey: GLLPUTYLZIKEGF-HAVVHWLPSA-N
• Cross-matching ID:
  PubChem CID: 5362391
  ChEBI ID: CHEBI:135542
  CAS Number: 110140-89-1
  UNII: QTS5QOO42O
  DrugBank ID: DB01207
  TTD ID: D0E3BH

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Thromboxane A2 receptor (TBXA2R)	TT2O84V	TA2R_HUMAN	Binder	[2]

Molecular Expression Atlas of This Drug

• The Studied Disease: Acute myocardial infarction
• ICD Disease Classification: BA41

Molecule Name	Molecule Type	Gene Name	p-value	Fold-Change	Z-score
Thromboxane A2 receptor (TBXA2R)	DTT	TBXA2R	2.78E-04	-0.11	-0.31

References

• [1] Inhibition of cytochromes p450: existing and new promising therapeutic targets. Drug Metab Rev. 2007;39(2-3):481-99.
• [2] Chronic ouabain treatment exacerbates blood pressure elevation in spontaneously hypertensive rats: the role of vascular mechanisms. J Hypertens. 2009 Jun;27(6):1233-42.