Details of the Drug

General Information of Drug (ID: DM7Q4EX)

• Drug Name: Temanogrel
• Synonyms: Temanogrel hydrochloride; APD-791; 5-HT 2a inverse agonist (arterial thrombosis), Arena Pharmaceutical

Indication

Disease Entry	ICD 11	Status	REF
Cardiovascular disease	BA00-BE2Z	Phase 1	[1]

• Affected Organisms: Humans and other mammals
• Drug Type: Small molecular drug
• #Ro5 Violations (Lipinski): 0:
  Molecular Weight (mw); 436.5
  Logarithm of the Partition Coefficient (xlogp); 2.3
  Rotatable Bond Count (rotbonds); 8
  Hydrogen Bond Donor Count (hbonddonor); 1
  Hydrogen Bond Acceptor Count (hbondacc); 6
• Chemical Identifiers:
  Formula: C24H28N4O4
  IUPAC Name: 3-methoxy-N-[3-(2-methylpyrazol-3-yl)-4-(2-morpholin-4-ylethoxy)phenyl]benzamide
  Canonical SMILES: CN1C(=CC=N1)C2=C(C=CC(=C2)NC(=O)C3=CC(=CC=C3)OC)OCCN4CCOCC4
  InChI: InChI=1S/C24H28N4O4/c1-27-22(8-9-25-27)21-17-19(26-24(29)18-4-3-5-20(16-18)30-2)6-7-23(21)32-15-12-28-10-13-31-14-11-28/h3-9,16-17H,10-15H2,1-2H3,(H,26,29)
  InChIKey: ZEOQUKRCASTCFR-UHFFFAOYSA-N
• Cross-matching ID:
  PubChem CID: 11604525
  CAS Number: 887936-68-7
  UNII: F42Z27575A
  DrugBank ID: DB05227
  TTD ID: D0R9KG
  VARIDT ID: DR00740

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
5-HT 2A receptor (HTR2A)	TTJQOD7	5HT2A_HUMAN	Agonist	[2]

Molecular Expression Atlas of This Drug

• The Studied Disease: Cardiovascular disease
• ICD Disease Classification: BA00-BE2Z

Molecule Name	Molecule Type	Gene Name	p-value	Fold-Change	Z-score
5-HT 2A receptor (HTR2A)	DTT	HTR2A	1.68E-01	-0.3	-0.14
5-HT 2A receptor (HTR2A)	DTT	HTR2A	5.59E-01	0.15	0.21

References

• [1] ClinicalTrials.gov (NCT02034292) Safety Study of APD-791 With Aspirin and/or Clopidogrel. U.S. National Institutes of Health.
• [2] Clinical pipeline report, company report or official report of Arena Pharmaceuticals.