Details of the Drug

General Information of Drug (ID: DMJUW8H)

Drug Name
Dazoxiben
Synonyms
DAZOXIBEN; 78218-09-4; Dazoxibene; Dazoxiben [INN-Spanish]; Dazoxibenum; Dazoxibenum [INN-Latin]; Dazoxibene [INN-French]; Dazoxiben [INN:BAN]; 4-(2-(1H-Imidazol-1-yl)ethoxy)benzoic acid; UNII-09ZFC7974Q; 4-(2-imidazol-1-ylethoxy)benzoic acid; UK 37248; Benzoic acid, 4-(2-(1H-imidazol-1-yl)ethoxy)-; p-(2-Imidazol-1-ylethoxy)benzoic acid; 4-(2-(1-Imidazolyl)ethoxy)benzoesaeure; UK-37248; CHEMBL267473; 103735-00-8; 4-[2-(1H-imidazol-1-yl)ethoxy]benzoic acid; 09ZFC7974Q; AH-P 719 (9CI); NCGC00018938-03
Drug Type
Small molecular drug
Structure
3D MOL 2D MOL
#Ro5 Violations (Lipinski): 0 Molecular Weight (mw) 232.23
Logarithm of the Partition Coefficient (xlogp) 1.4
Rotatable Bond Count (rotbonds) 5
Hydrogen Bond Donor Count (hbonddonor) 1
Hydrogen Bond Acceptor Count (hbondacc) 4
Chemical Identifiers
Formula
C12H12N2O3
IUPAC Name
4-(2-imidazol-1-ylethoxy)benzoic acid
Canonical SMILES
C1=CC(=CC=C1C(=O)O)OCCN2C=CN=C2
InChI
InChI=1S/C12H12N2O3/c15-12(16)10-1-3-11(4-2-10)17-8-7-14-6-5-13-9-14/h1-6,9H,7-8H2,(H,15,16)
InChIKey
XQGZSYKGWHUSDH-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
53001
CAS Number
78218-09-4
UNII
09ZFC7974Q
DrugBank ID
DB03052
TTD ID
D04EEU

Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
Thromboxane-A synthase (TBXAS1) TTKNWZ4 THAS_HUMAN Inhibitor [1]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

Molecular Expression Atlas of This Drug

Molecule Name Molecule Type Gene Name p-value Fold-Change Z-score
Thromboxane-A synthase (TBXAS1) DTT TBXAS1 6.56E-01 0.02 0.08
Molecular Expression Atlas (MEA) Jump to Detail Molecular Expression Atlas of This Drug

References

1 Metabolic protection of the reperfused canine endocardium by the thromboxane synthetase inhibitor, dazoxiben. Prostaglandins Leukot Essent Fatty Acids. 1988 Jul;33(1):13-22.