Details of the Drug

General Information of Drug (ID: DMQTAGO)

Drug Name
BMS-201038
Synonyms AEGR 733; AEGR733; BMS 201038; BMS 201238; BMS201038; AEGR-733; BMS 201038-01
Indication
Disease Entry ICD 11 Status REF
Familial hypercholesterolemia 5C80.00 Approved [1]
Affected Organisms
Humans and other mammals
Drug Type
Small molecular drug
Structure
3D MOL 2D MOL
#Ro5 Violations (Lipinski): 2 Molecular Weight (mw) 693.7
Logarithm of the Partition Coefficient (xlogp) 8.6
Rotatable Bond Count (rotbonds) 10
Hydrogen Bond Donor Count (hbonddonor) 2
Hydrogen Bond Acceptor Count (hbondacc) 9
ADMET Property
Clearance
The drug present in the plasma can be removed from the body at the rate of 8.7 mL/min/kg [2]
Half-life
The concentration or amount of drug in body reduced by one-half in 39.7 hours [2]
Metabolism
The drug is metabolized via the CYP3A4 to it's inactive metabolites M1 and M3 []
Unbound Fraction
The unbound fraction of drug in plasma is 0.002% [2]
Vd
The volume of distribution (Vd) of drug is 985-1292 L []
Adverse Drug Reaction (ADR)
ADR Term Variation Related DOT DOT ID REF
Teratogenicity Not Available CYP3A4 OTQGYY83 [3]
Chemical Identifiers
Formula
C39H37F6N3O2
IUPAC Name
N-(2,2,2-trifluoroethyl)-9-[4-[4-[[2-[4-(trifluoromethyl)phenyl]benzoyl]amino]piperidin-1-yl]butyl]fluorene-9-carboxamide
Canonical SMILES
C1CN(CCC1NC(=O)C2=CC=CC=C2C3=CC=C(C=C3)C(F)(F)F)CCCCC4(C5=CC=CC=C5C6=CC=CC=C64)C(=O)NCC(F)(F)F
InChI
InChI=1S/C39H37F6N3O2/c40-38(41,42)25-46-36(50)37(33-13-5-3-10-30(33)31-11-4-6-14-34(31)37)21-7-8-22-48-23-19-28(20-24-48)47-35(49)32-12-2-1-9-29(32)26-15-17-27(18-16-26)39(43,44)45/h1-6,9-18,28H,7-8,19-25H2,(H,46,50)(H,47,49)
InChIKey
MBBCVAKAJPKAKM-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
9853053
ChEBI ID
CHEBI:72297
CAS Number
182431-12-5
UNII
82KUB0583F
DrugBank ID
DB08827
TTD ID
D0H8VY
Combinatorial Drugs (CBD) Click to Jump to the Detailed CBD Information of This Drug

Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
Microsomal triglyceride transfer protein (MTTP) TTUS1RD MTP_HUMAN Inhibitor [4]

Drug Off-Target (DOT)
DOT Name DOT ID UniProt ID Interaction REF
Apolipoprotein B-100 (APOB) OTH0UOCZ APOB_HUMAN Protein Interaction/Cellular Processes [5]
Cytochrome P450 3A4 (CYP3A4) OTQGYY83 CP3A4_HUMAN Drug Response [3]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

Molecular Expression Atlas of This Drug

The Studied Disease Familial hypercholesterolemia
ICD Disease Classification 5C80.00
Molecule Name Molecule Type Gene Name p-value Fold-Change Z-score
Microsomal triglyceride transfer protein (MTTP) DTT MTTP 9.76E-02 0.13 0.68
Molecular Expression Atlas (MEA) Jump to Detail Molecular Expression Atlas of This Drug

Drug-Drug Interaction (DDI) Information of This Drug

Coadministration of a Drug Treating the Same Disease as BMS-201038
DDI Drug Name DDI Drug ID Severity Mechanism Disease REF
Teriflunomide DMQ2FKJ Major Increased risk of hepatotoxicity by the combination of BMS-201038 and Teriflunomide. Hyper-lipoproteinaemia [5C80] [6]
Coadministration of a Drug Treating the Disease Different from BMS-201038 (Comorbidity)
DDI Drug Name DDI Drug ID Severity Mechanism Comorbidity REF
Remdesivir DMBFZ6L Moderate Increased risk of hepatotoxicity by the combination of BMS-201038 and Remdesivir. 1D6YCoronavirus Disease 2019 [1D6YCoronavirus Disease 2019] [7]
Tagraxofusp DM9HQ5U Major Increased risk of hepatotoxicity by the combination of BMS-201038 and Tagraxofusp. Acute myeloid leukaemia [2A60] [8]
Gilteritinib DMTI0ZO Major Increased risk of hepatotoxicity by the combination of BMS-201038 and Gilteritinib. Acute myeloid leukaemia [2A60] [8]
Inotersen DMJ93CT Major Increased risk of hepatotoxicity by the combination of BMS-201038 and Inotersen. Amyloidosis [5D00] [8]
Ivabradine DM0L594 Moderate Decreased metabolism of BMS-201038 caused by Ivabradine mediated inhibition of CYP450 enzyme. Angina pectoris [BA40] [9]
Bedaquiline DM3906J Major Increased risk of hepatotoxicity by the combination of BMS-201038 and Bedaquiline. Antimicrobial drug resistance [MG50-MG52] [8]
Troleandomycin DMUZNIG Major Decreased metabolism of BMS-201038 caused by Troleandomycin mediated inhibition of CYP450 enzyme. Bacterial infection [1A00-1C4Z] [7]
Pexidartinib DMS2J0Z Major Increased risk of hepatotoxicity by the combination of BMS-201038 and Pexidartinib. Bone/articular cartilage neoplasm [2F7B] [10]
Talazoparib DM1KS78 Moderate Decreased clearance of BMS-201038 due to the transporter inhibition by Talazoparib. Breast cancer [2C60-2C6Y] [11]
LY2835219 DM93VBZ Major Increased risk of hepatotoxicity by the combination of BMS-201038 and LY2835219. Breast cancer [2C60-2C6Y] [8]
Tucatinib DMBESUA Major Decreased metabolism of BMS-201038 caused by Tucatinib mediated inhibition of CYP450 enzyme. Breast cancer [2C60-2C6Y] [7]
Palbociclib DMD7L94 Moderate Decreased metabolism of BMS-201038 caused by Palbociclib mediated inhibition of CYP450 enzyme. Breast cancer [2C60-2C6Y] [9]
Fenofibric acid DMGO2MC Major Increased risk of hepatotoxicity by the combination of BMS-201038 and Fenofibric acid. Cardiovascular disease [BA00-BE2Z] [8]
Macitentan DMP79A1 Major Increased risk of hepatotoxicity by the combination of BMS-201038 and Macitentan. Cardiovascular disease [BA00-BE2Z] [8]
Fidaxomicin DMFP6MV Minor Decreased clearance of BMS-201038 due to the transporter inhibition by Fidaxomicin. Clostridium difficile enterocolitis [1A04] [7]
Regorafenib DMHSY1I Major Increased risk of hepatotoxicity by the combination of BMS-201038 and Regorafenib. Colorectal cancer [2B91] [8]
Intedanib DMSTA36 Major Increased risk of hepatotoxicity by the combination of BMS-201038 and Intedanib. Colorectal cancer [2B91] [8]
Levonorgestrel DM1DP7T Moderate Decreased metabolism of BMS-201038 caused by Levonorgestrel mediated inhibition of CYP450 enzyme. Contraceptive management [QA21] [8]
Osilodrostat DMIJC9X Moderate Decreased metabolism of BMS-201038 caused by Osilodrostat mediated inhibition of CYP450 enzyme. Cushing syndrome [5A70] [9]
MK-8228 DMOB58Q Major Decreased metabolism of BMS-201038 caused by MK-8228 mediated inhibition of CYP450 enzyme. Cytomegaloviral disease [1D82] [7]
Polatuzumab vedotin DMF6Y0L Major Increased risk of hepatotoxicity by the combination of BMS-201038 and Polatuzumab vedotin. Diffuse large B-cell lymphoma [2A81] [8]
Oestradiol valerate and dienogest DMZK0FQ Moderate Decreased metabolism of BMS-201038 caused by Oestradiol valerate and dienogest mediated inhibition of CYP450 enzyme. Endometriosis [GA10] [12]
Stiripentol DMMSDOY Moderate Decreased metabolism of BMS-201038 caused by Stiripentol mediated inhibition of CYP450 enzyme. Epilepsy/seizure [8A61-8A6Z] [9]
Cannabidiol DM0659E Major Increased risk of hepatotoxicity by the combination of BMS-201038 and Cannabidiol. Epileptic encephalopathy [8A62] [8]
Tazemetostat DMWP1BH Moderate Decreased metabolism of BMS-201038 caused by Tazemetostat mediated inhibition of CYP450 enzyme. Follicular lymphoma [2A80] [13]
Mirabegron DMS1GYT Minor Decreased metabolism of BMS-201038 caused by Mirabegron mediated inhibition of CYP450 enzyme. Functional bladder disorder [GC50] [14]
Ripretinib DM958QB Moderate Decreased metabolism of BMS-201038 caused by Ripretinib mediated inhibition of CYP450 enzyme. Gastrointestinal stromal tumour [2B5B] [7]
Avapritinib DMK2GZX Moderate Decreased metabolism of BMS-201038 caused by Avapritinib mediated inhibition of CYP450 enzyme. Gastrointestinal stromal tumour [2B5B] [9]
Boceprevir DMBSHMF Major Decreased metabolism of BMS-201038 caused by Boceprevir mediated inhibition of CYP450 enzyme. Hepatitis virus infection [1E50-1E51] [7]
177Lu-DOTATATE DMT8GVU Major Increased risk of hepatotoxicity by the combination of BMS-201038 and 177Lu-DOTATATE. Hepatitis virus infection [1E50-1E51] [8]
Brentuximab vedotin DMWLC57 Major Increased risk of hepatotoxicity by the combination of BMS-201038 and Brentuximab vedotin. Hodgkin lymphoma [2B30] [8]
MK-1439 DM215WE Minor Decreased metabolism of BMS-201038 caused by MK-1439 mediated inhibition of CYP450 enzyme. Human immunodeficiency virus disease [1C60-1C62] [15]
Cobicistat DM6L4H2 Major Decreased metabolism of BMS-201038 caused by Cobicistat mediated inhibition of CYP450 enzyme. Human immunodeficiency virus disease [1C60-1C62] [7]
Dolutegravir DMCZGRE Minor Decreased metabolism of BMS-201038 caused by Dolutegravir mediated inhibition of CYP450 enzyme. Human immunodeficiency virus disease [1C60-1C62] [16]
Rilpivirine DMJ0QOW Major Increased risk of hepatotoxicity by the combination of BMS-201038 and Rilpivirine. Human immunodeficiency virus disease [1C60-1C62] [8]
Aliskiren DM1BV7W Moderate Decreased metabolism of BMS-201038 caused by Aliskiren mediated inhibition of CYP450 enzyme. Hypertension [BA00-BA04] [6]
Levamlodipine DM92S6N Moderate Decreased metabolism of BMS-201038 caused by Levamlodipine mediated inhibition of CYP450 enzyme. Hypertension [BA00-BA04] [8]
Givosiran DM5PFIJ Major Increased risk of hepatotoxicity by the combination of BMS-201038 and Givosiran. Inborn porphyrin/heme metabolism error [5C58] [8]
Berotralstat DMWA2DZ Major Decreased metabolism of BMS-201038 caused by Berotralstat mediated inhibition of CYP450 enzyme. Innate/adaptive immunodeficiency [4A00] [7]
Suvorexant DM0E6S3 Moderate Decreased metabolism of BMS-201038 caused by Suvorexant mediated inhibition of CYP450 enzyme. Insomnia [7A00-7A0Z] [7]
Naloxegol DML0B41 Minor Decreased clearance of BMS-201038 due to the transporter inhibition by Naloxegol. Large intestine motility disorder [DB32] [17]
Pemigatinib DM819JF Moderate Decreased metabolism of BMS-201038 caused by Pemigatinib mediated inhibition of CYP450 enzyme. Liver cancer [2C12] [9]
Crizotinib DM4F29C Major Decreased metabolism of BMS-201038 caused by Crizotinib mediated inhibition of CYP450 enzyme. Lung cancer [2C25] [7]
Brigatinib DM7W94S Moderate Decreased metabolism of BMS-201038 caused by Brigatinib mediated inhibition of CYP450 enzyme. Lung cancer [2C25] [7]
Ceritinib DMB920Z Major Decreased metabolism of BMS-201038 caused by Ceritinib mediated inhibition of CYP450 enzyme. Lung cancer [2C25] [7]
Lurbinectedin DMEFRTZ Major Increased risk of hepatotoxicity by the combination of BMS-201038 and Lurbinectedin. Lung cancer [2C25] [8]
PF-06463922 DMKM7EW Moderate Decreased metabolism of BMS-201038 caused by PF-06463922 mediated inhibition of CYP450 enzyme. Lung cancer [2C25] [18]
Alectinib DMP1I6Y Major Increased risk of hepatotoxicity by the combination of BMS-201038 and Alectinib. Lung cancer [2C25] [8]
Osimertinib DMRJLAT Moderate Decreased metabolism of BMS-201038 caused by Osimertinib mediated inhibition of CYP450 enzyme. Lung cancer [2C25] [19]
BIBW 2992 DMTKD7Q Major Increased risk of hepatotoxicity by the combination of BMS-201038 and BIBW 2992. Lung cancer [2C25] [8]
Pralsetinib DMWU0I2 Major Increased risk of hepatotoxicity by the combination of BMS-201038 and Pralsetinib. Lung cancer [2C25] [8]
Capmatinib DMYCXKL Major Increased risk of hepatotoxicity by the combination of BMS-201038 and Capmatinib. Lung cancer [2C25] [8]
Selpercatinib DMZR15V Major Increased risk of hepatotoxicity by the combination of BMS-201038 and Selpercatinib. Lung cancer [2C25] [8]
Calaspargase pegol DMQZBXI Major Increased risk of hepatotoxicity by the combination of BMS-201038 and Calaspargase pegol. Malignant haematopoietic neoplasm [2B33] [8]
Idelalisib DM602WT Major Decreased metabolism of BMS-201038 caused by Idelalisib mediated inhibition of CYP450 enzyme. Mature B-cell leukaemia [2A82] [7]
GDC-0199 DMH0QKA Moderate Decreased metabolism of BMS-201038 caused by GDC-0199 mediated inhibition of CYP450 enzyme. Mature B-cell leukaemia [2A82] [7]
IPI-145 DMWA24P Major Decreased metabolism of BMS-201038 caused by IPI-145 mediated inhibition of CYP450 enzyme. Mature B-cell leukaemia [2A82] [7]
Acalabrutinib DM7GCVW Moderate Decreased metabolism of BMS-201038 caused by Acalabrutinib mediated inhibition of CYP450 enzyme. Mature B-cell lymphoma [2A85] [20]
Blinatumomab DMGECIJ Major Increased risk of hepatotoxicity by the combination of BMS-201038 and Blinatumomab. Mature B-cell lymphoma [2A85] [8]
Ibrutinib DMHZCPO Moderate Decreased metabolism of BMS-201038 caused by Ibrutinib mediated inhibition of CYP450 enzyme. Mature B-cell lymphoma [2A85] [21]
Ponatinib DMYGJQO Major Increased risk of hepatotoxicity by the combination of BMS-201038 and Ponatinib. Mature B-cell lymphoma [2A85] [8]
Arry-162 DM1P6FR Major Increased risk of hepatotoxicity by the combination of BMS-201038 and Arry-162. Melanoma [2C30] [8]
Vemurafenib DM62UG5 Major Increased risk of hepatotoxicity by the combination of BMS-201038 and Vemurafenib. Melanoma [2C30] [8]
Selumetinib DMC7W6R Moderate Decreased metabolism of BMS-201038 caused by Selumetinib mediated inhibition of CYP450 enzyme. Melanoma [2C30] [22]
Dabrafenib DMX6OE3 Moderate Increased metabolism of BMS-201038 caused by Dabrafenib mediated induction of CYP450 enzyme. Melanoma [2C30] [9]
Ubrogepant DM749I3 Moderate Decreased metabolism of BMS-201038 caused by Ubrogepant mediated inhibition of CYP450 enzyme. Migraine [8A80] [23]
Carfilzomib DM48K0X Major Increased risk of hepatotoxicity by the combination of BMS-201038 and Carfilzomib. Multiple myeloma [2A83] [8]
Tecfidera DM2OVDT Major Increased risk of hepatotoxicity by the combination of BMS-201038 and Tecfidera. Multiple sclerosis [8A40] [8]
Siponimod DM2R86O Major Increased risk of hepatotoxicity by the combination of BMS-201038 and Siponimod. Multiple sclerosis [8A40] [8]
Fingolimod DM5JVAN Major Increased risk of hepatotoxicity by the combination of BMS-201038 and Fingolimod. Multiple sclerosis [8A40] [8]
Fedratinib DM4ZBK6 Major Decreased metabolism of BMS-201038 caused by Fedratinib mediated inhibition of CYP450 enzyme. Myeloproliferative neoplasm [2A20] [7]
Ruxolitinib DM7Q98D Minor Decreased metabolism of BMS-201038 caused by Ruxolitinib mediated inhibition of CYP450 enzyme. Myeloproliferative neoplasm [2A20] [9]
Netupitant DMEKAYI Major Decreased metabolism of BMS-201038 caused by Netupitant mediated inhibition of CYP450 enzyme. Nausea/vomiting [MD90] [7]
Entrectinib DMMPTLH Major Increased risk of hepatotoxicity by the combination of BMS-201038 and Entrectinib. Non-small cell lung cancer [2C25] [8]
S-297995 DM26IH8 Moderate Decreased clearance of BMS-201038 due to the transporter inhibition by S-297995. Opioid use disorder [6C43] [9]
Olaparib DM8QB1D Moderate Decreased metabolism of BMS-201038 caused by Olaparib mediated inhibition of CYP450 enzyme. Ovarian cancer [2C73] [24]
Rucaparib DM9PVX8 Moderate Decreased metabolism of BMS-201038 caused by Rucaparib mediated inhibition of CYP450 enzyme. Ovarian cancer [2C73] [8]
Abametapir DM2RX0I Moderate Decreased metabolism of BMS-201038 caused by Abametapir mediated inhibition of CYP450 enzyme. Pediculosis [1G00] [25]
Lefamulin DME6G97 Moderate Decreased metabolism of BMS-201038 caused by Lefamulin mediated inhibition of CYP450 enzyme. Pneumonia [CA40] [7]
Relugolix DMK7IWL Major Decreased clearance of BMS-201038 due to the transporter inhibition by Relugolix. Prostate cancer [2C82] [26]
Riociguat DMXBLMP Moderate Decreased metabolism of BMS-201038 caused by Riociguat mediated inhibition of CYP450 enzyme. Pulmonary hypertension [BB01] [7]
Sarilumab DMOGNXY Major Increased risk of hepatotoxicity by the combination of BMS-201038 and Sarilumab. Rheumatoid arthritis [FA20] [8]
Voxelotor DMCS6M5 Moderate Decreased metabolism of BMS-201038 caused by Voxelotor mediated inhibition of CYP450 enzyme. Sickle-cell disorder [3A51] [8]
LDE225 DMM9F25 Moderate Decreased metabolism of BMS-201038 caused by LDE225 mediated inhibition of CYP450 enzyme. Skin cancer [2C30-2C37] [27]
Larotrectinib DM26CQR Major Increased risk of hepatotoxicity by the combination of BMS-201038 and Larotrectinib. Solid tumour/cancer [2A00-2F9Z] [8]
LEE011 DMMX75K Major Decreased metabolism of BMS-201038 caused by LEE011 mediated inhibition of CYP450 enzyme. Solid tumour/cancer [2A00-2F9Z] [7]
Fostamatinib DM6AUHV Major Increased risk of hepatotoxicity by the combination of BMS-201038 and Fostamatinib. Thrombocytopenia [3B64] [8]
Lusutrombopag DMH6IKO Moderate Decreased clearance of BMS-201038 due to the transporter inhibition by Lusutrombopag. Thrombocytopenia [3B64] [28]
Lenvatinib DMB1IU4 Major Increased risk of hepatotoxicity by the combination of BMS-201038 and Lenvatinib. Thyroid cancer [2D10] [8]
Linagliptin DMWFJTR Moderate Decreased clearance of BMS-201038 due to the transporter inhibition by Linagliptin. Type 2 diabetes mellitus [5A11] [8]
Elagolix DMB2C0E Major Increased risk of hepatotoxicity by the combination of BMS-201038 and Elagolix. Uterine fibroid [2E86] [8]
Betrixaban DM2C4RF Moderate Decreased clearance of BMS-201038 due to the transporter inhibition by Betrixaban. Venous thromboembolism [BD72] [29]
⏷ Show the Full List of 92 DDI Information of This Drug

References

1 URL: http://www.guidetopharmacology.org Nucleic Acids Res. 2015 Oct 12. pii: gkv1037. The IUPHAR/BPS Guide to PHARMACOLOGY in 2016: towards curated quantitative interactions between 1300 protein targets and 6000 ligands. (Ligand id: 7439).
2 Trend Analysis of a Database of Intravenous Pharmacokinetic Parameters in Humans for 1352 Drug Compounds
3 ADReCS-Target: target profiles for aiding drug safety research and application. Nucleic Acids Res. 2018 Jan 4;46(D1):D911-D917. doi: 10.1093/nar/gkx899.
4 Dyslipidemia and cardiovascular diseases. Curr Opin Lipidol. 2009 Apr;20(2):157-8.
5 Drug-induced hepatic steatosis in absence of severe mitochondrial dysfunction in HepaRG cells: proof of multiple mechanism-based toxicity. Cell Biol Toxicol. 2021 Apr;37(2):151-175. doi: 10.1007/s10565-020-09537-1. Epub 2020 Jun 14.
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