ATOPAXAR

Search structure
Synonyms:
Status: Phase 2
Entry Type: Small molecule
Molecule Category: UNKNOWN
UNII: HTI275SD2D

Structure
InChI Key QWKAUGRRIXBIPO-UHFFFAOYSA-N
Smile CCOc1cc2c(c(F)c1OCC)C(=N)N(CC(=O)c1cc(N3CCOCC3)c(OC)c(C(C)(C)C)c1)C2
InChI
InChI=1S/C29H38FN3O5/c1-7-37-23-15-19-16-33(28(31)24(19)25(30)27(23)38-8-2)17-22(34)18-13-20(29(3,4)5)26(35-6)21(14-18)32-9-11-36-12-10-32/h13-15,31H,7-12,16-17H2,1-6H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C29H38FN3O5
Molecular Weight 527.64
AlogP 4.79
Hydrogen Bond Acceptor 7.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 9.0
Polar Surface Area 84.32
Molecular species NEUTRAL
Aromatic Rings 2.0
Heavy Atoms 38.0

Pharmacology

Action Mechanism of Action Reference
ANTAGONIST Proteinase-activated receptor 1 antagonist PubMed PubMed PubMed
Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Membrane receptor Family A G protein-coupled receptor Peptide receptor (family A GPCR) Protease-activated receptor Protease-activated receptor
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Indications

Mesh Heading Maximum Phase Mesh ID Reference
Acute Coronary Syndrome 2 D054058 ClinicalTrials
Coronary Disease 2 D003327 ClinicalTrials

Related Entries

Scaffolds

Cross References

Resources Reference
ChEMBL CHEMBL2103856
DrugBank DB12046
FDA SRS HTI275SD2D
Guide to Pharmacology 4048
PubChem 10459564
SureChEMBL SCHEMBL1730339
ZINC ZINC000038913962
CONTENTS