SUFUGOLIX

Search structure
Synonyms:
Status: Phase 2
Entry Type: Small molecule
Molecule Category: UNKNOWN
UNII: 56S17Z6X9M

Structure
InChI Key UCQSBGOFELXYIN-UHFFFAOYSA-N
Smile 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

Action Mechanism of Action Reference
ANTAGONIST Gonadotropin-releasing hormone receptor 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
- 0-1070 - 0 -

Related Entries

Scaffolds

Cross References

Resources Reference
ChEMBL CHEMBL22055
DrugBank DB06494
EPA CompTox DTXSID40184893
FDA SRS 56S17Z6X9M
Guide to Pharmacology 1185
PubChem 3038517
SureChEMBL SCHEMBL209021
ZINC ZINC000003842924
CONTENTS