Details of the Drug

General Information of Drug (ID: DMDGRQO)

Drug Name

Glycerol phenylbutyrate

Synonyms

GT4P; HPN-100; Glyceryl tri-(4-phenylbutyrate)

Indication

Disease Entry	ICD 11	Status	REF
Hepatic encephalopathy	DB99.5	Approved	[1]

Drug Type

Small molecular drug

Structure

3D MOL is unavailable

2D MOL

#Ro5 Violations (Lipinski): 3

Molecular Weight (mw)

530.6

Topological Polar Surface Area (xlogp)

6.7

Rotatable Bond Count (rotbonds)

Hydrogen Bond Donor Count (hbonddonor)

Hydrogen Bond Acceptor Count (hbondacc)

ADMET Property

Metabolism: The drug is metabolized via the liver [2]

Chemical Identifiers

Formula: C33H38O6
IUPAC Name: 2,3-bis(4-phenylbutanoyloxy)propyl 4-phenylbutanoate
Canonical SMILES: C1=CC=C(C=C1)CCCC(=O)OCC(COC(=O)CCCC2=CC=CC=C2)OC(=O)CCCC3=CC=CC=C3
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
InChIKey: ZSDBFLMJVAGKOU-UHFFFAOYSA-N

Cross-matching ID

PubChem CID: 10482134
ChEBI ID: CHEBI:134745
CAS Number: 611168-24-2
DrugBank ID: DB08909
TTD ID: D0E0BD
INTEDE ID: DR0784

Molecular Interaction Atlas of This Drug

Drug-Metabolizing Enzyme (DME)

DME Name	DME ID	UniProt ID	MOA	REF
Aquaporin adipose (AQP7)	DEVOTU4	AQP7_HUMAN	Substrate	[3]
Propanediol dehydrogenase (dhaT)	DEDI8VX	A0A0C1Q6R1_LACBR	Substrate	[4]

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Molecular Interaction Atlas (MIA)

MIA Detail

Jump to Detail Molecular Interaction Atlas of This Drug

Drug-Drug Interaction (DDI) Information of This Drug

Coadministration of a Drug Treating the Disease Different from Glycerol phenylbutyrate (Comorbidity)

DDI Drug Name	DDI Drug ID	Severity	Mechanism	Comorbidity	REF
Gilteritinib	DMWQ4MZ	Moderate	Increased metabolism of Glycerol phenylbutyrate caused by Gilteritinib mediated induction of CYP450 enzyme.	Acute myeloid leukaemia [2A60]	[5]
Oliceridine	DM6MDCF	Moderate	Decreased metabolism of Glycerol phenylbutyrate caused by Oliceridine mediated inhibition of CYP450 enzyme.	Acute pain [MG31]	[6]
Tucatinib	DMBESUA	Moderate	Increased metabolism of Glycerol phenylbutyrate caused by Tucatinib mediated induction of CYP450 enzyme.	Breast cancer [2C60-2C6Y]	[7]
Alpelisib	DMEXMYK	Moderate	Increased metabolism of Glycerol phenylbutyrate caused by Alpelisib mediated induction of CYP450 enzyme.	Breast cancer [2C60-2C6Y]	[8]
PF-04449913	DMSB068	Moderate	Increased metabolism of Glycerol phenylbutyrate caused by PF-04449913 mediated induction of CYP450 enzyme.	Chronic myelomonocytic leukaemia [2A40]	[9]
Osilodrostat	DMIJC9X	Moderate	Increased metabolism of Glycerol phenylbutyrate caused by Osilodrostat mediated induction of CYP450 enzyme.	Cushing syndrome [5A70]	[10]
Vortioxetine	DM6F1PU	Moderate	Decreased metabolism of Glycerol phenylbutyrate caused by Vortioxetine mediated inhibition of CYP450 enzyme.	Depression [6A70-6A7Z]	[6]
OPC-34712	DMHG57U	Major	Decreased metabolism of Glycerol phenylbutyrate caused by OPC-34712 mediated inhibition of CYP450 enzyme.	Depression [6A70-6A7Z]	[11]
Deutetrabenazine	DMUPFLI	Moderate	Decreased metabolism of Glycerol phenylbutyrate caused by Deutetrabenazine mediated inhibition of CYP450 enzyme.	Dystonic disorder [8A02]	[6]
Ingrezza	DMVPLNC	Moderate	Decreased metabolism of Glycerol phenylbutyrate caused by Ingrezza mediated inhibition of CYP450 enzyme.	Dystonic disorder [8A02]	[6]
Stiripentol	DMMSDOY	Moderate	Increased metabolism of Glycerol phenylbutyrate caused by Stiripentol mediated induction of CYP450 enzyme.	Epilepsy/seizure [8A61-8A6Z]	[6]
Tazemetostat	DMWP1BH	Moderate	Increased metabolism of Glycerol phenylbutyrate caused by Tazemetostat mediated induction of CYP450 enzyme.	Follicular lymphoma [2A80]	[12]
Ripretinib	DM958QB	Moderate	Increased metabolism of Glycerol phenylbutyrate caused by Ripretinib mediated induction of CYP450 enzyme.	Gastrointestinal stromal tumour [2B5B]	[13]
Avapritinib	DMK2GZX	Moderate	Increased metabolism of Glycerol phenylbutyrate caused by Avapritinib mediated induction of CYP450 enzyme.	Gastrointestinal stromal tumour [2B5B]	[6]
MK-1439	DM215WE	Moderate	Increased metabolism of Glycerol phenylbutyrate caused by MK-1439 mediated induction of CYP450 enzyme.	Human immunodeficiency virus disease [1C60-1C62]	[14]
Fostemsavir	DM50ILT	Minor	Increased metabolism of Glycerol phenylbutyrate caused by Fostemsavir mediated induction of CYP450 enzyme.	Human immunodeficiency virus disease [1C60-1C62]	[15]
Pemigatinib	DM819JF	Moderate	Increased metabolism of Glycerol phenylbutyrate caused by Pemigatinib mediated induction of CYP450 enzyme.	Liver cancer [2C12]	[6]
Lurbinectedin	DMEFRTZ	Moderate	Increased metabolism of Glycerol phenylbutyrate caused by Lurbinectedin mediated induction of CYP450 enzyme.	Lung cancer [2C25]	[16]
Capmatinib	DMYCXKL	Moderate	Increased metabolism of Glycerol phenylbutyrate caused by Capmatinib mediated induction of CYP450 enzyme.	Lung cancer [2C25]	[17]
Selpercatinib	DMZR15V	Moderate	Increased metabolism of Glycerol phenylbutyrate caused by Selpercatinib mediated induction of CYP450 enzyme.	Lung cancer [2C25]	[6]
Acalabrutinib	DM7GCVW	Moderate	Increased metabolism of Glycerol phenylbutyrate caused by Acalabrutinib mediated induction of CYP450 enzyme.	Mature B-cell lymphoma [2A85]	[18]
Selumetinib	DMC7W6R	Moderate	Increased metabolism of Glycerol phenylbutyrate caused by Selumetinib mediated induction of CYP450 enzyme.	Melanoma [2C30]	[19]
Ubrogepant	DM749I3	Moderate	Increased metabolism of Glycerol phenylbutyrate caused by Ubrogepant mediated induction of CYP450 enzyme.	Migraine [8A80]	[20]
Entrectinib	DMMPTLH	Moderate	Increased metabolism of Glycerol phenylbutyrate caused by Entrectinib mediated induction of CYP450 enzyme.	Non-small cell lung cancer [2C25]	[21]
Macimorelin	DMQYJIR	Moderate	Increased metabolism of Glycerol phenylbutyrate caused by Macimorelin mediated induction of CYP450 enzyme.	Pituitary gland disorder [5A60-5A61]	[22]
Lefamulin	DME6G97	Moderate	Increased metabolism of Glycerol phenylbutyrate caused by Lefamulin mediated induction of CYP450 enzyme.	Pneumonia [CA40]	[23]
Darolutamide	DMV7YFT	Moderate	Increased metabolism of Glycerol phenylbutyrate caused by Darolutamide mediated induction of CYP450 enzyme.	Prostate cancer [2C82]	[24]
Larotrectinib	DM26CQR	Moderate	Increased metabolism of Glycerol phenylbutyrate caused by Larotrectinib mediated induction of CYP450 enzyme.	Solid tumour/cancer [2A00-2F9Z]	[13]
LEE011	DMMX75K	Moderate	Increased metabolism of Glycerol phenylbutyrate caused by LEE011 mediated induction of CYP450 enzyme.	Solid tumour/cancer [2A00-2F9Z]	[13]
Pitolisant	DM8RFNJ	Moderate	Decreased metabolism of Glycerol phenylbutyrate caused by Pitolisant mediated inhibition of CYP450 enzyme.	Somnolence [MG42]	[6]
Fostamatinib	DM6AUHV	Moderate	Increased metabolism of Glycerol phenylbutyrate caused by Fostamatinib mediated induction of CYP450 enzyme.	Thrombocytopenia [3B64]	[25]
Elagolix	DMB2C0E	Moderate	Increased metabolism of Glycerol phenylbutyrate caused by Elagolix mediated induction of CYP450 enzyme.	Uterine fibroid [2E86]	[26]
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References

1	Drugs@FDA. U.S. Food and Drug Administration. U.S. Department of Health & Human Services. 2015
2	FDA approval: ado-trastuzumab emtansine for the treatment of patients with HER2-positive metastatic breast cancer. Clin Cancer Res. 2014 Sep 1;20(17):4436-41.
3	Aquaporins in the human testis and spermatozoa - identification, involvement in sperm volume regulation and clinical relevance. Int J Androl. 2010 Aug 1;33(4):629-41.
4	Expression and characterization of a novel 1,3-propanediol dehydrogenase from Lactobacillus brevis. Appl Biochem Biotechnol. 2016 Jul;179(6):959-72.
5	Product Information. Xospata (gilteritinib). Astellas Pharma US, Inc, Deerfield, IL.
6	Cerner Multum, Inc. "UK Summary of Product Characteristics.".
7	Product Information. Tukysa (tucatinib). Seattle Genetics Inc, Bothell, WA.
8	Product Information. Piqray (alpelisib). Novartis Pharmaceuticals, East Hanover, NJ.
9	Product Information. Daurismo (glasdegib). Pfizer U.S. Pharmaceuticals Group, New York, NY.
10	Product Information. Isturisa (osilodrostat). Recordati Rare Diseases Inc, Lebanon, NJ.
11	Product Information. Rexulti (brexpiprazole). Otsuka American Pharmaceuticals Inc, Rockville, MD.
12	Product Information. Tazverik (tazemetostat). Epizyme, Inc, Cambridge, MA.
13	Cerner Multum, Inc. "Australian Product Information.".
14	Product Information. Pifeltro (doravirine). Merck & Company Inc, Whitehouse Station, NJ.
15	Product Information. Rukobia (fostemsavir). ViiV Healthcare, Research Triangle Park, NC.
16	Product Information. Zepzelca (lurbinectedin). Jazz Pharmaceuticals, Palo Alto, CA.
17	Product Information. Tabrecta (capmatinib). Novartis Pharmaceuticals, East Hanover, NJ.
18	Product Information. Calquence (acalabrutinib). Astra-Zeneca Pharmaceuticals, Wilmington, DE.
19	Product Information. Koselugo (selumetinib). Astra-Zeneca Pharmaceuticals, Wilmington, DE.
20	Product Information. Ubrelvy (ubrogepant). Allergan Inc, Irvine, CA.
21	Product Information. Rozlytrek (entrectinib). Genentech, South San Francisco, CA.
22	Product Information. Macrilen (macimorelin). Aeterna Zentaris, Charleston, SC.
23	Product Information. Xenleta (lefamulin). Nabriva Therapeutics US, Inc., King of Prussia, PA.
24	Product Information. Nubeqa (darolutamide). Bayer HealthCare Pharmaceuticals Inc., Whippany, NJ.
25	Product Information. Tavalisse (fostamatinib). Rigel Pharmaceuticals, South San Francisco, CA.
26	Product Information. Orilissa (elagolix). AbbVie US LLC, North Chicago, IL.