Details of the Drug

General Information of Drug (ID: DMEV39E)

Drug Name

Ifetroban

Synonyms

Ifetroban; 143443-90-7; BMS-180291; BMS 180291-02; 3-[2-[[(1S,2R,3S,4R)-3-[4-(pentylcarbamoyl)-1,3-oxazol-2-yl]-7-oxabicyclo[2.2.1]heptan-2-yl]methyl]phenyl]propanoic acid; E833KT807K; Benzenepropanoic acid, 2-((3-(4-((pentylamino)carbonyl)-2-oxazolyl)-7-oxabicyclo(2.2.1)hept-2-yl)methyl)-, (1S-(exo,exo))-; Ifetroban [USAN:INN]; UNII-E833KT807K; o-((1S,2R,3S,4R)-3-(4-(Pentylcarbamoyl)-2-oxazolyl)-7-oxabicyclo(2.2.1)hept-2-yl)methyl)hydrocinnamic acid; O-[[1S,2R,3S,4R)-3-[4-(Pentylcarbamoyl)-2-oxazolyl]-7-oxabicyclo[2.2.1]hept-2-yl]methyl]hydrocinnamic acid; BMS180291; BMS 180291; IFETROBAN [INN]; IFETROBAN [USAN]; SCHEMBL28135; GTPL1987; CHEMBL3301673; DTXSID40869931; CHEBI:188730; BDBM50212318; AKOS040748563; DB12321; BMS 180,291; HY-105218; CS-0025381; Q5991162; 3-[2-[[(1S,4R,5S,6R)-5-[4-(pentylcarbamoyl)-1,3-oxazol-2-yl]-7-oxabicyclo[2.2.1]heptan-6-yl]methyl]phenyl]propanoic acid

Indication

Disease Entry	ICD 11	Status	REF
Aspirin-induced asthma	CA23.20	Phase 2	[1]
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Drug Type

Small molecule

Structure

3D MOL

2D MOL

Chemical Identifiers

Formula: C25H32N2O5
Canonical SMILES: CCCCCNC(=O)C1=COC(=N1)C2C3CCC(C2CC4=CC=CC=C4CCC(=O)O)O3
InChI: InChI=1S/C25H32N2O5/c1-2-3-6-13-26-24(30)19-15-31-25(27-19)23-18(20-10-11-21(23)32-20)14-17-8-5-4-7-16(17)9-12-22(28)29/h4-5,7-8,15,18,20-21,23H,2-3,6,9-14H2,1H3,(H,26,30)(H,28,29)/t18-,20-,21+,23-/m0/s1
InChIKey: BBPRUNPUJIUXSE-DXKRWKNPSA-N

Cross-matching ID

PubChem CID: 3037233
TTD ID: D8N9VF

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]

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Molecular Interaction Atlas (MIA)

MIA Detail

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Molecular Expression Atlas of This Drug

The Studied Disease

Aspirin-induced asthma

ICD Disease Classification

CA23.20

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

Molecular Expression Atlas (MEA)

MEA Detail

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References

1	ClinicalTrials.gov (NCT03326063) Therapeutic Control of Aspirin-Exacerbated Respiratory Disease. U.S.National Institutes of Health.
2	Ifetroban sodium: an effective TxA2/PGH2 receptor antagonist. Cardiovasc Drug Rev. 2001 Summer;19(2):97-115.