RELUGOLIX

Search structure
Synonyms:
Status: Approved (2020)
Entry Type: Small molecule
Molecule Category: UNKNOWN
UNII: P76B05O5V6

Structure
InChI Key AOMXMOCNKJTRQP-UHFFFAOYSA-N
Smile CONC(=O)Nc1ccc(-c2sc3c(c2CN(C)C)c(=O)n(-c2ccc(OC)nn2)c(=O)n3Cc2c(F)cccc2F)cc1
InChI
InChI=1S/C29H27F2N7O5S/c1-36(2)14-19-24-26(39)38(22-12-13-23(42-3)34-33-22)29(41)37(15-18-20(30)6-5-7-21(18)31)27(24)44-25(19)16-8-10-17(11-9-16)32-28(40)35-43-4/h5-13H,14-15H2,1-4H3,(H2,32,35,40)

Physicochemical Descriptors

Property Name Value
Molecular Formula C29H27F2N7O5S
Molecular Weight 623.64
AlogP 3.75
Hydrogen Bond Acceptor 11.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 9.0
Polar Surface Area 132.61
Molecular species NEUTRAL
Aromatic Rings 5.0
Heavy Atoms 44.0

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
- - - - 0
Membrane receptor Family A G protein-coupled receptor Peptide receptor (family A GPCR) Short peptide receptor (family A GPCR) GnRH receptor
- 0-18 0-1 - -

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Prostatic Neoplasms 4 D011471 FDA
Prostatic Neoplasms 4 D011471 ClinicalTrials
Endometriosis 3 D004715 ClinicalTrials
Leiomyoma 3 D007889 ClinicalTrials
Pain 3 D010146 ClinicalTrials
Prostatic Neoplasms, Castration-Resistant 3 D064129 ClinicalTrials

Related Entries

Scaffolds

Cross References

Resources Reference
CAS NUMBER 737789-87-6
ChEMBL CHEMBL1800159
DrugBank DB11853
EPA CompTox DTXSID40224167
FDA SRS P76B05O5V6
Guide to Pharmacology 5586
PubChem 10348973
SureChEMBL SCHEMBL778416
ZINC ZINC000043206033
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