Synonyms
Status
Molecule Category Free-form
UNII 7CDW97HUEX

Structure

InChI Key BMAAMIIYNNPHAB-UHFFFAOYSA-N
Smiles COc1cc(F)c(-n2c(=O)[nH]c3csc(C(=O)O)c3c2=O)cc1OCc1c(OC)ccc(F)c1F
InChI
InChI=1S/C22H15F3N2O7S/c1-32-14-4-3-10(23)18(25)9(14)7-34-16-6-13(11(24)5-15(16)33-2)27-20(28)17-12(26-22(27)31)8-35-19(17)21(29)30/h3-6,8H,7H2,1-2H3,(H,26,31)(H,29,30)

Physicochemical Descriptors

Property Name Value
Molecular Formula C22H15F3N2O7S
Molecular Weight 508.43
AlogP 3.45
Hydrogen Bond Acceptor 8.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 7.0
Polar Surface Area 119.85
Molecular species ACID
Aromatic Rings 4.0
Heavy Atoms 35.0

Pharmacology

Mechanism of Action Action Reference
Gonadotropin-releasing hormone receptor antagonist ANTAGONIST Other

Target Conservation

Protein: Gonadotropin-releasing hormone receptor

Description: Gonadotropin-releasing hormone receptor

Organism : Homo sapiens

P30968 ENSG00000109163

Cross References

Resources Reference
ChEMBL CHEMBL3668014
FDA SRS 7CDW97HUEX
PubChem 16656889
SureChEMBL SCHEMBL2333748
ZINC ZINC000043152963