TERBOGREL

Search structure
Synonyms:
Status: Phase 2
Entry Type: Small molecule
Molecule Category: UNKNOWN
UNII: 5Z4KWQ5OGN

Structure
InChI Key XUTLOCQNGLJNSA-RGVLZGJSSA-N
Smile CC(C)(C)/N=C(\NC#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

Action Mechanism of Action Reference
ANTAGONIST Thromboxane A2 receptor 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 - - -

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Hypertension, Pulmonary 2 D006976 ClinicalTrials

Related Entries

Scaffolds

Cross References

Resources Reference
CAS NUMBER 149979-74-8
ChEMBL CHEMBL281398
DrugBank DB12204
FDA SRS 5Z4KWQ5OGN
PubChem 6449876
SureChEMBL SCHEMBL42848
ZINC ZINC000011726169
CONTENTS