Synonyms:
Status: Phase 3
Entry Type: Small molecule
Molecule Category: UNKNOWN
UNII: A6WX9391D8

Structure

InChI Key HWEOXFSBSQIWSY-MRXNPFEDSA-N
Smile Cc1ccc2c(c1CCC(=O)O)CC[C@@H](NS(=O)(=O)c1ccc(Cl)cc1)C2
InChI
InChI=1S/C20H22ClNO4S/c1-13-2-3-14-12-16(6-9-19(14)18(13)10-11-20(23)24)22-27(25,26)17-7-4-15(21)5-8-17/h2-5,7-8,16,22H,6,9-12H2,1H3,(H,23,24)/t16-/m1/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C20H22ClNO4S
Molecular Weight 407.92
AlogP 3.5
Hydrogen Bond Acceptor 3.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 6.0
Polar Surface Area 83.47
Molecular species ACID
Aromatic Rings 2.0
Heavy Atoms 27.0

Pharmacology

Action Mechanism of Action Reference
ANTAGONIST Thromboxane A2 receptor antagonist PubMed Wikipedia

Related Entries

Scaffolds

Cross References

Resources Reference
ChEMBL CHEMBL2107786
FDA SRS A6WX9391D8
Guide to Pharmacology 6073
PubChem 9938840
SureChEMBL SCHEMBL1896773
ZINC ZINC000003811419