ELAGOLIX

Search structure
Synonyms:
Status: Approved (2018)
Entry Type: Small molecule
Molecule Category: Parent
ATC: H01CC03
UNII: 5B2546MB5Z

Structure
InChI Key HEAUOKZIVMZVQL-VWLOTQADSA-N
Smile COc1cccc(-c2c(C)n(Cc3c(F)cccc3C(F)(F)F)c(=O)n(C[C@H](NCCCC(=O)O)c3ccccc3)c2=O)c1F
InChI
InChI=1S/C32H30F5N3O5/c1-19-28(21-11-6-14-26(45-2)29(21)34)30(43)40(18-25(20-9-4-3-5-10-20)38-16-8-15-27(41)42)31(44)39(19)17-22-23(32(35,36)37)12-7-13-24(22)33/h3-7,9-14,25,38H,8,15-18H2,1-2H3,(H,41,42)/t25-/m0/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C32H30F5N3O5
Molecular Weight 631.6
AlogP 5.54
Hydrogen Bond Acceptor 7.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 12.0
Polar Surface Area 102.56
Molecular species ZWITTERION
Aromatic Rings 4.0
Heavy Atoms 45.0

Pharmacology

Action Mechanism of Action Reference
ANTAGONIST Gonadotropin-releasing hormone receptor antagonist PubMed
Primary Target
GnRH1 receptor

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Endometriosis 3 D004715 ClinicalTrials
Leiomyoma 3 D007889 ClinicalTrials
Polycystic Ovary Syndrome 2 D011085 ClinicalTrials

Related Entries

Scaffolds

Salt

Cross References

Resources Reference
CAS NUMBER 834153-87-6
ChEMBL CHEMBL1208155
DrugBank DB11979
DrugCentral 5293
EPA CompTox DTXSID40232348
FDA SRS 5B2546MB5Z
Guide to Pharmacology 8362
PDB F5O
PubChem 11250647
SureChEMBL SCHEMBL1642523
ZINC ZINC000049888891
CONTENTS