GLYCEROL PHENYLBUTYRATE


Trade Names	GLYCEROL PHENYLBUTYRATE RAVICTI
Synonyms	Glycerol phenylbutyrate HPN-100 HPN100 Ravicti
Status
Molecule Category	Free-form
ATC	A16AX09
UNII	ZH6F1VCV7B
EPA CompTox	DTXSID40210005
Parent Compound:


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

Structure


InChI Key	ZSDBFLMJVAGKOU-UHFFFAOYSA-N
Smiles	O=C(CCCc1ccccc1)OCC(COC(=O)CCCc1ccccc1)OC(=O)CCCc1ccccc1
InChI	InChI=1S/C33H38O6/c34-31(22-10-19-27-13-4-1-5-14-27)37-25-30(39-33(36)24-12-21-29-17-8-3-9-18-29)26-38-32(35)23-11-20-28-15-6-2-7-16-28/h1-9,13-18,30H,10-12,19-26H2

Physicochemical Descriptors

Property Name	Value
Molecular Formula	C33H38O6
Molecular Weight	530.66
AlogP	6.05
Hydrogen Bond Acceptor	6.0
Hydrogen Bond Donor	0.0
Number of Rotational Bond	17.0
Polar Surface Area	78.9
Molecular species	None
Aromatic Rings	3.0
Heavy Atoms	39.0

Bioactivity

Mechanism of Action	Action	Reference
Glutamine sequestering agent	SEQUESTERING AGENT	DailyMed

Cross References

Resources	Reference
ChEBI	134745
ChEMBL	CHEMBL2105745
DrugBank	DB08909
DrugCentral	4745
FDA SRS	ZH6F1VCV7B
PubChem	10482134
SureChEMBL	SCHEMBL10102804

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).