TERBOGREL

/static/temp/default.svg Search structure
Synonyms
Status
Molecule Category Free-form
UNII 5Z4KWQ5OGN

Structure

InChI Key XUTLOCQNGLJNSA-RGVLZGJSSA-N
Smiles CC(C)(C)N/C(=N\C#N)Nc1cccc(/C(=C\CCCC(=O)O)c2cccnc2)c1
InChI
InChI=1S/C23H27N5O2/c1-23(2,3)28-22(26-16-24)27-19-10-6-8-17(14-19)20(11-4-5-12-21(29)30)18-9-7-13-25-15-18/h6-11,13-15H,4-5,12H2,1-3H3,(H,29,30)(H2,26,27,28)/b20-11+

Physicochemical Descriptors

Property Name Value
Molecular Formula C23H27N5O2
Molecular Weight 405.5
AlogP 4.41
Hydrogen Bond Acceptor 4.0
Hydrogen Bond Donor 3.0
Number of Rotational Bond 7.0
Polar Surface Area 110.4
Molecular species ACID
Aromatic Rings 2.0
Heavy Atoms 30.0

Pharmacology

Mechanism of Action Action Reference
Thromboxane A2 receptor antagonist ANTAGONIST PubMed PubMed 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
- 4 - - -
Membrane receptor Family A G protein-coupled receptor Small molecule receptor (family A GPCR) Lipid-like ligand receptor (family A GPCR) Prostanoid receptor
- 11 - - -
EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Homo sapiens
310 - - - -

Target Conservation

Protein: Thromboxane A2 receptor
Description: Thromboxane A2 receptor
Organism : Homo sapiens
P21731 ENSG00000006638
Protein: Thromboxane-A synthase
Description: Thromboxane-A synthase
Organism : Homo sapiens
P24557 ENSG00000059377

Cross References

Resources Reference
ChEMBL CHEMBL281398
DrugBank DB12204
FDA SRS 5Z4KWQ5OGN
PubChem 6449876
SureChEMBL SCHEMBL42848
ZINC ZINC000011726169
CONTENTS