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]
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
UNII
E833KT807K
DrugBank ID
DB12321
TTD ID
D8N9VF
Drug ADMET Endpoint Profile (DAE)NEW Click to Jump to the Detailed DAE Information of This Drug

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 Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

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) Jump to Detail Molecular Expression Atlas of This Drug

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.