SUFUGOLIX

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Synonyms
Status
Molecule Category Free-form
UNII 56S17Z6X9M
EPA CompTox DTXSID40184893

Structure

InChI Key UCQSBGOFELXYIN-UHFFFAOYSA-N
Smiles CONC(=O)Nc1ccc(-c2sc3c(c2CN(C)Cc2ccccc2)c(=O)n(-c2ccccc2)c(=O)n3Cc2c(F)cccc2F)cc1
InChI
InChI=1S/C36H31F2N5O4S/c1-41(20-23-10-5-3-6-11-23)21-28-31-33(44)43(26-12-7-4-8-13-26)36(46)42(22-27-29(37)14-9-15-30(27)38)34(31)48-32(28)24-16-18-25(19-17-24)39-35(45)40-47-2/h3-19H,20-22H2,1-2H3,(H2,39,40,45)

Physicochemical Descriptors

Property Name Value
Molecular Formula C36H31F2N5O4S
Molecular Weight 667.74
AlogP 6.52
Hydrogen Bond Acceptor 8.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 10.0
Polar Surface Area 97.6
Molecular species NEUTRAL
Aromatic Rings 6.0
Heavy Atoms 48.0

Pharmacology

Mechanism of Action Action Reference
Gonadotropin-releasing hormone receptor antagonist ANTAGONIST PubMed
Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Enzyme Cytochrome P450 Cytochrome P450 family 3 Cytochrome P450 family 3A Cytochrome P450 3A4
- - - - 36
Membrane receptor Family A G protein-coupled receptor Peptide receptor (family A GPCR) Short peptide receptor (family A GPCR) GnRH receptor
- 0.06-470 - 0.2 -
EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Cercopithecidae
- 0.6-10 - - -
Homo sapiens
- 0.06-470 - - 36
Macaca fascicularis
- 0.6-10 - - -
Macaca mulatta
- 0.6-1.6 - - -
Rattus norvegicus
- 1.3 - - -

Target Conservation

Protein: Gonadotropin-releasing hormone receptor
Description: Gonadotropin-releasing hormone receptor
Organism : Homo sapiens
P30968 ENSG00000109163

Related Entries

Cross References

Resources Reference
ChEMBL CHEMBL22055
DrugBank DB06494
FDA SRS 56S17Z6X9M
Guide to Pharmacology 1185
PubChem 3038517
SureChEMBL SCHEMBL209021
ZINC ZINC000003842924
CONTENTS