FOSRAVUCONAZOLE


Synonyms	BMS-379224 Bms-379224 E-1224 FREE ACID E1224 FREE ACID Fosravuconazole Ravuconazole methyl phosphate Ravuconazole methylphosphate Ravuconazole phosphoester
Status
Molecule Category	UNKNOWN
ATC	D01BA03
UNII	L4Q6O5430L
EPA CompTox	DTXSID70188627


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

Structure


InChI Key	SYTNEMZCCLUTNX-NPMXOYFQSA-N
Smiles	C[C@@H](c1nc(-c2ccc(C#N)cc2)cs1)[C@@](Cn1cncn1)(OCOP(=O)(O)O)c1ccc(F)cc1F
InChI	InChI=1S/C23H20F2N5O5PS/c1-15(22-29-21(10-37-22)17-4-2-16(9-26)3-5-17)23(11-30-13-27-12-28-30,34-14-35-36(31,32)33)19-7-6-18(24)8-20(19)25/h2-8,10,12-13,15H,11,14H2,1H3,(H2,31,32,33)/t15-,23+/m0/s1

Physicochemical Descriptors

Property Name	Value
Molecular Formula	C23H20F2N5O5PS
Molecular Weight	547.48
AlogP	4.33
Hydrogen Bond Acceptor	9.0
Hydrogen Bond Donor	2.0
Number of Rotational Bond	10.0
Polar Surface Area	143.38
Molecular species	ACID
Aromatic Rings	4.0
Heavy Atoms	37.0

Bioactivity

Mechanism of Action	Action	Reference
Cytochrome P450 51 inhibitor	INHIBITOR	PubMed

Related Entries

Cross References

Resources	Reference
ChEBI	34549
ChEMBL	CHEMBL333325
DrugBank	DB15204
FDA SRS	L4Q6O5430L
KEGG	C14817
PubChem	9807507
SureChEMBL	SCHEMBL1434200
ZINC	ZINC000001553335

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).