OPIGOLIX


Synonyms	ASP-1707 ASP1707 Opigolix Opigolixum
Status
Molecule Category	UNKNOWN
UNII	VQ6CK0CITA


Active Pharmaceutical Ingredients Bioactive chemicals	Exact Similarity SubStructure	Threshold (%) >= 70

Structure


InChI Key	CWNLBPBIFALUQD-GFCCVEGCSA-N
Smiles	C[C@@H](O)C(=N)NS(=O)(=O)c1cc(C(=O)C(C(=O)c2cc(F)ccc2F)=C2Nc3ccccc3N2)ccc1F
InChI	InChI=1S/C25H19F3N4O5S/c1-12(33)24(29)32-38(36,37)20-10-13(6-8-17(20)28)22(34)21(23(35)15-11-14(26)7-9-16(15)27)25-30-18-4-2-3-5-19(18)31-25/h2-12,30-31,33H,1H3,(H2,29,32)/t12-/m1/s1

Physicochemical Descriptors

Property Name	Value
Molecular Formula	C25H19F3N4O5S
Molecular Weight	544.51
AlogP	3.56
Hydrogen Bond Acceptor	8.0
Hydrogen Bond Donor	5.0
Number of Rotational Bond	7.0
Polar Surface Area	148.45
Molecular species	NEUTRAL
Aromatic Rings	3.0
Heavy Atoms	38.0

Bioactivity

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


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

Cross References

Resources	Reference
ChEMBL	CHEMBL3989969
FDA SRS	VQ6CK0CITA
PubChem	135565248
SureChEMBL	SCHEMBL2006189

CONTENTS


PREMIER has received funding from the Innovative Medicines Initiative 2 Joint Undertaking (JU) under grant agreement No 875508. The JU receives support from the EU’s Horizon 2020 research and innovation programme and the European Federation of Pharmaceutical Industries and Associations (EFPIA). The views reflect only the authors’ perspective and the JU is not responsible for any use that may be made of the information this manuscript contains. Elements of the website have been developed under projects PREMIER and the Biocenter Finland Drug Discovery and Chemical Biology network. CSC-IT is thanked for providing computational resources. Content of the website is provided without guarantee for correctness. Data has been collected and integrated from multiple public sources, for the largest: FDA, HUGO Gene Nomenclature Committee, ChEMBL, IUPHAR/BPS guide to pharmacology, Reactome, UniProt, and Ensembl. Credit is given to Ensembl for collecting species images (provided under public domain licences such as Wikimedia and NHGRI).

PREMIER has received funding from the Innovative Medicines Initiative 2 Joint Undertaking (JU) under grant agreement No 875508. The JU receives support from the EU’s Horizon 2020 research and innovation programme and the European Federation of Pharmaceutical Industries and Associations (EFPIA). The views reflect only the authors’ perspective and the JU is not responsible for any use that may be made of the information this manuscript contains.

Elements of the website have been developed under projects PREMIER and the Biocenter Finland Drug Discovery and Chemical Biology network. CSC-IT is thanked for providing computational resources. Content of the website is provided without guarantee for correctness. Data has been collected and integrated from multiple public sources, for the largest: FDA, HUGO Gene Nomenclature Committee, ChEMBL, IUPHAR/BPS guide to pharmacology, Reactome, UniProt, and Ensembl. Credit is given to Ensembl for collecting species images (provided under public domain licences such as Wikimedia and NHGRI).