EcoDrugPlus


Synonyms	Fosdagrocorat PF-04171327
Status
Molecule Category	Free-form
UNII	HPI19004QS
EPA CompTox	DTXSID301100531

Datasets:

Active Pharmaceutical Ingredients

Bioactive chemicals

Agrochemicals

Human Metabolites

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SubStructure

Threshold (%) >= 70


InChI Key	BVXLAHSJXXSWFF-KEKPKEOLSA-N
Smiles	Cc1ncccc1NC(=O)c1ccc2c(c1)CC[C@@H]1C[C@@](OP(=O)(O)O)(C(F)(F)F)CC[C@@]21Cc1ccccc1
InChI	InChI=1S/C29H30F3N2O5P/c1-19-25(8-5-15-33-19)34-26(35)22-10-12-24-21(16-22)9-11-23-18-28(29(30,31)32,39-40(36,37)38)14-13-27(23,24)17-20-6-3-2-4-7-20/h2-8,10,12,15-16,23H,9,11,13-14,17-18H2,1H3,(H,34,35)(H2,36,37,38)/t23-,27+,28-/m1/s1

Physicochemical Descriptors

Property Name	Value
Molecular Formula	C29H30F3N2O5P
Molecular Weight	574.54
AlogP	6.28
Hydrogen Bond Acceptor	4.0
Hydrogen Bond Donor	3.0
Number of Rotational Bond	6.0
Polar Surface Area	108.75
Molecular species	ACID
Aromatic Rings	3.0
Heavy Atoms	40.0

Mechanism of Action	Action	Reference
Glucocorticoid receptor modulator	MODULATOR	Other Other

Target Conservation


Protein: Glucocorticoid receptor Description: Glucocorticoid receptor Organism : Homo sapiens P04150 ENSG00000113580

Cross References

Resources	Reference
CAS NUMBER	1044535-58-1
ChEMBL	CHEMBL3137316
DrugBank	DB12198
FDA SRS	HPI19004QS
Guide to Pharmacology	9649
PubChem	24872952
SureChEMBL	SCHEMBL1707427

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, Volume 54, Issue D1, 6 January 2026, Pages D1397–D1404, https://doi.org/10.1093/nar/gkaf1251

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

Last update: Monday, 23^rd March 2026

FOSDAGROCORAT

Structure

Physicochemical Descriptors

Pharmacology

Target Conservation

Related Entries

Cross References