EcoDrugPlus


Synonyms	BAY-1002670 BAY1002670 Vilaprisan
Status
Molecule Category	Free-form
UNII	IN59K53GI9

Datasets:

Active Pharmaceutical Ingredients

Bioactive chemicals

Agrochemicals

Human Metabolites

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Similarity

SubStructure

Threshold (%) >= 70


InChI Key	JUFWQQVHQFDUOD-ANRPBIDPSA-N
Smiles	C[C@]12C[C@H](c3ccc(S(C)(=O)=O)cc3)C3=C4CCC(=O)C=C4CC[C@H]3[C@@H]1CC[C@@]2(O)C(F)(F)C(F)(F)F
InChI	InChI=1S/C27H29F5O4S/c1-24-14-21(15-3-7-18(8-4-15)37(2,35)36)23-19-10-6-17(33)13-16(19)5-9-20(23)22(24)11-12-25(24,34)26(28,29)27(30,31)32/h3-4,7-8,13,20-22,34H,5-6,9-12,14H2,1-2H3/t20-,21+,22-,24-,25-/m0/s1

Physicochemical Descriptors

Property Name	Value
Molecular Formula	C27H29F5O4S
Molecular Weight	544.58
AlogP	5.92
Hydrogen Bond Acceptor	4.0
Hydrogen Bond Donor	1.0
Number of Rotational Bond	3.0
Polar Surface Area	71.44
Molecular species	NEUTRAL
Aromatic Rings	1.0
Heavy Atoms	37.0

Mechanism of Action	Action	Reference
Progesterone receptor modulator	MODULATOR	PubMed

Target Conservation


Protein: Progesterone receptor Description: Progesterone receptor Organism : Homo sapiens P06401 ENSG00000082175

Cross References

Resources	Reference
ChEMBL	CHEMBL3989936
DrugBank	DB11971
FDA SRS	IN59K53GI9
PubChem	50915138
SureChEMBL	SCHEMBL2121854

EcoDrug+ was developed under the PREMIER 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 EcoDrug+ contains.

Elements of EcoDrug+ were developed under the Biocenter Finland Drug Discovery and Chemical Biology network. CSC-IT Center for Science Ltd is thanked for providing computational resources. Credit is given to Ensembl for collecting species images (provided under public domain licences such as Wikimedia and NHGRI).

Content of EcoDrug+ is provided without guarantee for correctness.

Cite Us:

Ashenafi Legehar, Siobhán Monaghan, Mael Briand, Akseli Niemelä, Leo Ghemtio, Ziaurrehman Tanoli, A Ross Brown, Charles R Tyler, Henri Xhaard, EcoDrug PLUS: an advanced database for drug target conservation analysis and environmental risk assessment, Nucleic Acids Research, 2025, gkaf1251 Read...

This work is licensed under Creative Commons Attribution-ShareAlike 4.0 International License

Last update: Monday, 3 November 2025

VILAPRISAN

Structure

Physicochemical Descriptors

Pharmacology

Target Conservation

Related Entries

Cross References