OZAGREL

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Synonyms
Status
Molecule Category Free-form
UNII L256JB984D
EPA CompTox DTXSID6048547

Structure

InChI Key SHZKQBHERIJWAO-AATRIKPKSA-N
Smiles O=C(O)/C=C/c1ccc(Cn2ccnc2)cc1
InChI
InChI=1S/C13H12N2O2/c16-13(17)6-5-11-1-3-12(4-2-11)9-15-8-7-14-10-15/h1-8,10H,9H2,(H,16,17)/b6-5+

Physicochemical Descriptors

Property Name Value
Molecular Formula C13H12N2O2
Molecular Weight 228.25
AlogP 2.03
Hydrogen Bond Acceptor 3.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 4.0
Polar Surface Area 55.12
Molecular species ACID
Aromatic Rings 2.0
Heavy Atoms 17.0

Pharmacology

Mechanism of Action Action Reference
Thromboxane-A synthase inhibitor INHIBITOR PubMed PubMed
Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Enzyme Cytochrome P450 Cytochrome P450 family 5 Cytochrome P450 family 5A Cytochrome P450 5A1
- 24-900 - - 89-92
Enzyme Oxidoreductase
- - - - 21-24
EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Cavia porcellus
- - - - 0-0
Homo sapiens
- - - - 21-24
Oryctolagus cuniculus
- - - - 4.8-89
Rattus norvegicus
- - - - 11-92

Target Conservation

Protein: Thromboxane-A synthase
Description: Thromboxane-A synthase
Organism : Homo sapiens
P24557 ENSG00000059377

Cross References

Resources Reference
ChEBI 134938
ChEMBL CHEMBL11662
DrugBank DB12017
DrugCentral 2043
FDA SRS L256JB984D
Guide to Pharmacology 9866
PubChem 5282440
SureChEMBL SCHEMBL4210
ZINC ZINC000000005389
CONTENTS