Details of the Drug

General Information of Drug (ID: DMU54QB)

• Drug Name: Treximet
• Synonyms: Trexima; Naproxen mixture with sumatriptan; Naproxen sodium mixture with sumatriptan succinate; Sumatriptan mixture with naproxen;Sumatriptan succinate and naproxen sodium; Sumatriptan succinate mixture with naproxen sodium; Naproxen / sumatriptan

Indication

Disease Entry	ICD 11	Status	REF
Migraine	8A80	Approved	[1]

• Drug Type: Small molecular drug
• #Ro5 Violations (Lipinski): 3:
  Molecular Weight; 665.7
  Logarithm of the Partition Coefficient; Not Available
  Rotatable Bond Count; 12
  Hydrogen Bond Donor Count; 4
  Hydrogen Bond Acceptor Count; 11
• Chemical Identifiers:
  Formula: C32H40N3NaO9S
  IUPAC Name: sodium;butanedioic acid;1-[3-[2-(dimethylamino)ethyl]-1H-indol-5-yl]-N-methylmethanesulfonamide;(2S)-2-(6-methoxynaphthalen-2-yl)propanoate
  Canonical SMILES: C[C@@H](C1=CC2=C(C=C1)C=C(C=C2)OC)C(=O)[O-].CNS(=O)(=O)CC1=CC2=C(C=C1)NC=C2CCN(C)C.C(CC(=O)O)C(=O)O.[Na+]
  InChI: InChI=1S/C14H21N3O2S.C14H14O3.C4H6O4.Na/c1-15-20(18,19)10-11-4-5-14-13(8-11)12(9-16-14)6-7-17(2)3;1-9(14(15)16)10-3-4-12-8-13(17-2)6-5-11(12)7-10;5-3(6)1-2-4(7)8;/h4-5,8-9,15-16H,6-7,10H2,1-3H3;3-9H,1-2H3,(H,15,16);1-2H2,(H,5,6)(H,7,8);/q;;;+1/p-1/t;9-;;/m.0../s1
  InChIKey: IGRAQVLKCQVBQA-DBQHITQZSA-M
• Cross-matching ID:
  PubChem CID: 23709079
  CAS Number: 811794-26-0
  TTD ID: D07NJI

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
5-HT 1A receptor (HTR1A)	TTSQIFT	5HT1A_HUMAN	Antagonist	[2]

Molecular Expression Atlas of This Drug

• The Studied Disease: Migraine
• ICD Disease Classification: 8A80

Molecule Name	Molecule Type	Gene Name	p-value	Fold-Change	Z-score
5-HT 1A receptor (HTR1A)	DTT	HTR1A	2.18E-01	-0.11	-0.51

References

• [1] FDA Approved Drug Products from FDA Official Website. 2009. Application Number: (NDA) 021926.
• [2] Clinical pipeline report, company report or official report of GlaxoSmithKline (2009).