Details of the Drug

General Information of Drug (ID: DMYF1DN)

• Drug Name: Terutroban sodium
• Synonyms: S-18886; Terutroban sodium salt; 609340-89-8; 1-Naphthalenepropanoic acid, 6-(((4-chlorophenyl)sulfonyl)amino)-5,6,7,8-tetrahydro-2-methyl-, monosodium salt,

Indication

Disease Entry	ICD 11	Status	REF
Thrombosis	DB61-GB90	Discontinued in Phase 3	[1]

• Drug Type: Small molecular drug
• #Ro5 Violations (Lipinski): 0:
  Molecular Weight; 429.9
  Logarithm of the Partition Coefficient; Not Available
  Rotatable Bond Count; 6
  Hydrogen Bond Donor Count; 1
  Hydrogen Bond Acceptor Count; 5
• Chemical Identifiers:
  Formula: C20H21ClNNaO4S
  IUPAC Name: sodium;3-[(6R)-6-[(4-chlorophenyl)sulfonylamino]-2-methyl-5,6,7,8-tetrahydronaphthalen-1-yl]propanoate
  Canonical SMILES: CC1=C(C2=C(C[C@@H](CC2)NS(=O)(=O)C3=CC=C(C=C3)Cl)C=C1)CCC(=O)[O-].[Na+]
  InChI: InChI=1S/C20H22ClNO4S.Na/c1-13-2-3-14-12-16(6-9-19(14)18(13)10-11-20(23)24)22-27(25,26)17-7-4-15(21)5-8-17;/h2-5,7-8,16,22H,6,9-12H2,1H3,(H,23,24);/q;+1/p-1/t16-;/m1./s1
  InChIKey: BQMSKINGUUUIHE-PKLMIRHRSA-M
• Cross-matching ID:
  PubChem CID: 23674098
  CAS Number: 609340-89-8
  TTD ID: D0Z5VQ

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	Antagonist	[2]

Molecular Expression Atlas of This Drug

• The Studied Disease: Thrombosis
• ICD Disease Classification: DB61-GB90

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] Trusted, scientifically sound profiles of drug programs, clinical trials, safety reports, and company deals, written by scientists. Springer. 2015. Adis Insight (drug id 800011626)
• [2] Terutroban and endothelial TP receptors in atherogenesis. Med Sci (Paris). 2006 Apr;22(4):437-43.