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]
Affected Organisms
Humans and other mammals
ATC Code
A16AX09: Glycerol phenylbutyrate
A16AX: Various alimentary tract and metabolism products
A16A: OTHER ALIMENTARY TRACT AND METABOLISM PRODUCTS
A16: OTHER ALIMENTARY TRACT AND METABOLISM PRODUCTS
A: ALIMENTARY TRACT AND METABOLISM
Drug Type
Small molecular drug
Structure
3D MOL is unavailable 2D MOL
#Ro5 Violations (Lipinski): 3 Molecular Weight (mw) 530.6
Logarithm of the Partition Coefficient (xlogp) 6.7
Rotatable Bond Count (rotbonds) 20
Hydrogen Bond Donor Count (hbonddonor) 0
Hydrogen Bond Acceptor Count (hbondacc) 6
ADMET Property
Metabolism
The drug is metabolized via the liver []
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
UNII
ZH6F1VCV7B
DrugBank ID
DB08909
TTD ID
D0E0BD
INTEDE ID
DR0784
Combinatorial Drugs (CBD) Click to Jump to the Detailed CBD Information of This Drug

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 [2]
Propanediol dehydrogenase (dhaT) DEDI8VX A0A0C1Q6R1_LACBR Substrate [3]
Molecular Interaction Atlas (MIA) 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 DMTI0ZO Moderate Increased metabolism of Glycerol phenylbutyrate caused by Gilteritinib mediated induction of CYP450 enzyme. Acute myeloid leukaemia [2A60] [4]
Oliceridine DM6MDCF Moderate Decreased metabolism of Glycerol phenylbutyrate caused by Oliceridine mediated inhibition of CYP450 enzyme. Acute pain [MG31] [5]
Tucatinib DMBESUA Moderate Increased metabolism of Glycerol phenylbutyrate caused by Tucatinib mediated induction of CYP450 enzyme. Breast cancer [2C60-2C6Y] [6]
Alpelisib DMEXMYK Moderate Increased metabolism of Glycerol phenylbutyrate caused by Alpelisib mediated induction of CYP450 enzyme. Breast cancer [2C60-2C6Y] [7]
PF-04449913 DMSB068 Moderate Increased metabolism of Glycerol phenylbutyrate caused by PF-04449913 mediated induction of CYP450 enzyme. Chronic myelomonocytic leukaemia [2A40] [8]
Osilodrostat DMIJC9X Moderate Increased metabolism of Glycerol phenylbutyrate caused by Osilodrostat mediated induction of CYP450 enzyme. Cushing syndrome [5A70] [9]
Vortioxetine DM6F1PU Moderate Decreased metabolism of Glycerol phenylbutyrate caused by Vortioxetine mediated inhibition of CYP450 enzyme. Depression [6A70-6A7Z] [5]
OPC-34712 DMHG57U Major Decreased metabolism of Glycerol phenylbutyrate caused by OPC-34712 mediated inhibition of CYP450 enzyme. Depression [6A70-6A7Z] [10]
Deutetrabenazine DMUPFLI Moderate Decreased metabolism of Glycerol phenylbutyrate caused by Deutetrabenazine mediated inhibition of CYP450 enzyme. Dystonic disorder [8A02] [5]
Ingrezza DMVPLNC Moderate Decreased metabolism of Glycerol phenylbutyrate caused by Ingrezza mediated inhibition of CYP450 enzyme. Dystonic disorder [8A02] [5]
Stiripentol DMMSDOY Moderate Increased metabolism of Glycerol phenylbutyrate caused by Stiripentol mediated induction of CYP450 enzyme. Epilepsy/seizure [8A61-8A6Z] [5]
Tazemetostat DMWP1BH Moderate Increased metabolism of Glycerol phenylbutyrate caused by Tazemetostat mediated induction of CYP450 enzyme. Follicular lymphoma [2A80] [11]
Ripretinib DM958QB Moderate Increased metabolism of Glycerol phenylbutyrate caused by Ripretinib mediated induction of CYP450 enzyme. Gastrointestinal stromal tumour [2B5B] [12]
Avapritinib DMK2GZX Moderate Increased metabolism of Glycerol phenylbutyrate caused by Avapritinib mediated induction of CYP450 enzyme. Gastrointestinal stromal tumour [2B5B] [5]
MK-1439 DM215WE Moderate Increased metabolism of Glycerol phenylbutyrate caused by MK-1439 mediated induction of CYP450 enzyme. Human immunodeficiency virus disease [1C60-1C62] [13]
Fostemsavir DM50ILT Minor Increased metabolism of Glycerol phenylbutyrate caused by Fostemsavir mediated induction of CYP450 enzyme. Human immunodeficiency virus disease [1C60-1C62] [14]
Pemigatinib DM819JF Moderate Increased metabolism of Glycerol phenylbutyrate caused by Pemigatinib mediated induction of CYP450 enzyme. Liver cancer [2C12] [5]
Lurbinectedin DMEFRTZ Moderate Increased metabolism of Glycerol phenylbutyrate caused by Lurbinectedin mediated induction of CYP450 enzyme. Lung cancer [2C25] [15]
Capmatinib DMYCXKL Moderate Increased metabolism of Glycerol phenylbutyrate caused by Capmatinib mediated induction of CYP450 enzyme. Lung cancer [2C25] [16]
Selpercatinib DMZR15V Moderate Increased metabolism of Glycerol phenylbutyrate caused by Selpercatinib mediated induction of CYP450 enzyme. Lung cancer [2C25] [5]
Acalabrutinib DM7GCVW Moderate Increased metabolism of Glycerol phenylbutyrate caused by Acalabrutinib mediated induction of CYP450 enzyme. Mature B-cell lymphoma [2A85] [17]
Selumetinib DMC7W6R Moderate Increased metabolism of Glycerol phenylbutyrate caused by Selumetinib mediated induction of CYP450 enzyme. Melanoma [2C30] [18]
Ubrogepant DM749I3 Moderate Increased metabolism of Glycerol phenylbutyrate caused by Ubrogepant mediated induction of CYP450 enzyme. Migraine [8A80] [19]
Entrectinib DMMPTLH Moderate Increased metabolism of Glycerol phenylbutyrate caused by Entrectinib mediated induction of CYP450 enzyme. Non-small cell lung cancer [2C25] [20]
Macimorelin DMQYJIR Moderate Increased metabolism of Glycerol phenylbutyrate caused by Macimorelin mediated induction of CYP450 enzyme. Pituitary gland disorder [5A60-5A61] [21]
Lefamulin DME6G97 Moderate Increased metabolism of Glycerol phenylbutyrate caused by Lefamulin mediated induction of CYP450 enzyme. Pneumonia [CA40] [22]
Darolutamide DMV7YFT Moderate Increased metabolism of Glycerol phenylbutyrate caused by Darolutamide mediated induction of CYP450 enzyme. Prostate cancer [2C82] [23]
Larotrectinib DM26CQR Moderate Increased metabolism of Glycerol phenylbutyrate caused by Larotrectinib mediated induction of CYP450 enzyme. Solid tumour/cancer [2A00-2F9Z] [12]
LEE011 DMMX75K Moderate Increased metabolism of Glycerol phenylbutyrate caused by LEE011 mediated induction of CYP450 enzyme. Solid tumour/cancer [2A00-2F9Z] [12]
Pitolisant DM8RFNJ Moderate Decreased metabolism of Glycerol phenylbutyrate caused by Pitolisant mediated inhibition of CYP450 enzyme. Somnolence [MG42] [5]
Fostamatinib DM6AUHV Moderate Increased metabolism of Glycerol phenylbutyrate caused by Fostamatinib mediated induction of CYP450 enzyme. Thrombocytopenia [3B64] [24]
Elagolix DMB2C0E Moderate Increased metabolism of Glycerol phenylbutyrate caused by Elagolix mediated induction of CYP450 enzyme. Uterine fibroid [2E86] [25]
⏷ Show the Full List of 32 DDI Information of This Drug

References

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