Details of the Drug

General Information of Drug (ID: DMHM7JS)

Drug Name
Pasireotide
Synonyms
Signifor; UNII-I4P76SY3N4; Pasireotide diaspartate; I4P76SY3N4; SOM230; 820232-50-6; pasireotide aspartate; Pasireotide diaspartate [EMA EPAR]; CHEBI:72313; Cyclo((2R)-2-phenylglycyl-d-tryptophyl-l-lysyl-o-(phenylmethyl)-l-tyrosyl-l-phenylalanyl-(4R)-4-((((2-aminoethyl)amino)carbonyl)oxy)-l-prolyl), l-aspartate; Signifor (TN); SOM 230; SOM-230
Indication
Disease Entry ICD 11 Status REF
Cushing disease 5A70 Approved [1], [2]
Drug Type
Small molecular drug
Structure
3D MOL is unavailable 2D MOL
#Ro5 Violations (Lipinski): 4 Molecular Weight (mw) 1047.2
Topological Polar Surface Area (xlogp) 4.7
Rotatable Bond Count (rotbonds) 18
Hydrogen Bond Donor Count (hbonddonor) 9
Hydrogen Bond Acceptor Count (hbondacc) 11
ADMET Property
BDDCS Class
Biopharmaceutics Drug Disposition Classification System (BDDCS) Class 3: high solubility and low permeability [3]
Half-life
The concentration or amount of drug in body reduced by one-half in 12 hours [4]
Vd
The volume of distribution (Vd) of drug is 100 L [5]
Chemical Identifiers
Formula
C58H66N10O9
IUPAC Name
[(3S,6S,9S,12R,15S,18S,20R)-9-(4-aminobutyl)-3-benzyl-12-(1H-indol-3-ylmethyl)-2,5,8,11,14,17-hexaoxo-15-phenyl-6-[(4-phenylmethoxyphenyl)methyl]-1,4,7,10,13,16-hexazabicyclo[16.3.0]henicosan-20-yl] N-(2-aminoethyl)carbamate
Canonical SMILES
C1[C@H](CN2[C@@H]1C(=O)N[C@H](C(=O)N[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C2=O)CC3=CC=CC=C3)CC4=CC=C(C=C4)OCC5=CC=CC=C5)CCCCN)CC6=CNC7=CC=CC=C76)C8=CC=CC=C8)OC(=O)NCCN
InChI
InChI=1S/C58H66N10O9/c59-27-13-12-22-46-52(69)64-47(30-38-23-25-42(26-24-38)76-36-39-16-6-2-7-17-39)53(70)66-49(31-37-14-4-1-5-15-37)57(74)68-35-43(77-58(75)61-29-28-60)33-50(68)55(72)67-51(40-18-8-3-9-19-40)56(73)65-48(54(71)63-46)32-41-34-62-45-21-11-10-20-44(41)45/h1-11,14-21,23-26,34,43,46-51,62H,12-13,22,27-33,35-36,59-60H2,(H,61,75)(H,63,71)(H,64,69)(H,65,73)(H,66,70)(H,67,72)/t43-,46+,47+,48-,49+,50+,51+/m1/s1
InChIKey
VMZMNAABQBOLAK-DBILLSOUSA-N
Cross-matching ID
PubChem CID
9941444
ChEBI ID
CHEBI:72312
CAS Number
396091-73-9
DrugBank ID
DB06663
TTD ID
D0TV0C

Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
Somatostatin receptor type 1 (SSTR1) TTIND6G SSR1_HUMAN Inhibitor [6]
Somatostatin receptor type 2 (SSTR2) TTZ6T9E SSR2_HUMAN Inhibitor [7]
Somatostatin receptor type 3 (SSTR3) TTJX3UE SSR3_HUMAN Inhibitor [8]
Somatostatin receptor type 5 (SSTR5) TT2BC4G SSR5_HUMAN Inhibitor [9]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

Molecular Expression Atlas of This Drug

The Studied Disease Cushing disease
ICD Disease Classification 5A70
Molecule Name Molecule Type Gene Name p-value Fold-Change Z-score
Somatostatin receptor type 2 (SSTR2) DTT SSTR2 9.79E-07 -0.38 -0.65
Somatostatin receptor type 3 (SSTR3) DTT SSTR3 2.40E-04 -0.09 -0.56
Somatostatin receptor type 1 (SSTR1) DTT SSTR1 2.39E-14 -0.6 -0.83
Somatostatin receptor type 5 (SSTR5) DTT SSTR5 2.74E-01 -0.04 -0.26
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 Pasireotide
DDI Drug Name DDI Drug ID Severity Mechanism Disease REF
Osilodrostat DMIJC9X Major Increased risk of prolong QT interval by the combination of Pasireotide and Osilodrostat. Cushing syndrome [5A70] [25]
Coadministration of a Drug Treating the Disease Different from Pasireotide (Comorbidity)
DDI Drug Name DDI Drug ID Severity Mechanism Comorbidity REF
Remdesivir DMBFZ6L Moderate Increased risk of hepatotoxicity by the combination of Pasireotide and Remdesivir. 1D6YCoronavirus Disease 2019 [1D6YCoronavirus Disease 2019] [26]
Ivosidenib DM8S6T7 Major Increased risk of prolong QT interval by the combination of Pasireotide and Ivosidenib. Acute myeloid leukaemia [2A60] [27]
Arn-509 DMT81LZ Major Increased risk of prolong QT interval by the combination of Pasireotide and Arn-509. Acute myeloid leukaemia [2A60] [25]
Gilteritinib DMWQ4MZ Major Increased risk of prolong QT interval by the combination of Pasireotide and Gilteritinib. Acute myeloid leukaemia [2A60] [25]
Oliceridine DM6MDCF Major Increased risk of prolong QT interval by the combination of Pasireotide and Oliceridine. Acute pain [MG31] [28]
Ivabradine DM0L594 Major Increased risk of ventricular arrhythmias by the combination of Pasireotide and Ivabradine. Angina pectoris [BA40] [29]
Bedaquiline DM3906J Major Increased risk of prolong QT interval by the combination of Pasireotide and Bedaquiline. Antimicrobial drug resistance [MG50-MG52] [25]
Levalbuterol DM5YBO1 Moderate Increased risk of ventricular arrhythmias by the combination of Pasireotide and Levalbuterol. Asthma [CA23] [30]
Pexidartinib DMS2J0Z Major Increased risk of hepatotoxicity by the combination of Pasireotide and Pexidartinib. Bone/articular cartilage neoplasm [2F7B] [31]
Eribulin DM1DX4Q Major Increased risk of prolong QT interval by the combination of Pasireotide and Eribulin. Breast cancer [2C60-2C6Y] [25]
PF-04449913 DMSB068 Major Increased risk of prolong QT interval by the combination of Pasireotide and PF-04449913. Chronic myelomonocytic leukaemia [2A40] [25]
Olodaterol DM62B78 Moderate Increased risk of prolong QT interval by the combination of Pasireotide and Olodaterol. Chronic obstructive pulmonary disease [CA22] [32]
Deutetrabenazine DMUPFLI Major Increased risk of prolong QT interval by the combination of Pasireotide and Deutetrabenazine. Dystonic disorder [8A02] [25]
Ingrezza DMVPLNC Major Increased risk of prolong QT interval by the combination of Pasireotide and Ingrezza. Dystonic disorder [8A02] [25]
Cannabidiol DM0659E Moderate Increased risk of hepatotoxicity by the combination of Pasireotide and Cannabidiol. Epileptic encephalopathy [8A62] [29]
Ripretinib DM958QB Moderate Decreased metabolism of Pasireotide caused by Ripretinib mediated inhibition of CYP450 enzyme. Gastrointestinal stromal tumour [2B5B] [26]
Avapritinib DMK2GZX Moderate Decreased metabolism of Pasireotide caused by Avapritinib mediated inhibition of CYP450 enzyme. Gastrointestinal stromal tumour [2B5B] [29]
Levobetaxolol DMSREPX Moderate Increased risk of atrioventricular block by the combination of Pasireotide and Levobetaxolol. Glaucoma [9C61] [25]
177Lu-DOTATATE DMT8GVU Moderate Interference of cell/tissue uptake of Pasireotide by 177Lu-DOTATATE. Hepatitis virus infection [1E50-1E51] [33]
MK-1439 DM215WE Minor Decreased metabolism of Pasireotide caused by MK-1439 mediated inhibition of CYP450 enzyme. Human immunodeficiency virus disease [1C60-1C62] [34]
Fostemsavir DM50ILT Major Increased risk of prolong QT interval by the combination of Pasireotide and Fostemsavir. Human immunodeficiency virus disease [1C60-1C62] [25]
Rilpivirine DMJ0QOW Major Increased risk of prolong QT interval by the combination of Pasireotide and Rilpivirine. Human immunodeficiency virus disease [1C60-1C62] [25]
Teriflunomide DMQ2FKJ Major Increased risk of hepatotoxicity by the combination of Pasireotide and Teriflunomide. Hyper-lipoproteinaemia [5C80] [25]
BMS-201038 DMQTAGO Major Increased risk of hepatotoxicity by the combination of Pasireotide and BMS-201038. Hyper-lipoproteinaemia [5C80] [35]
Levamlodipine DM92S6N Moderate Increased risk of atrioventricular block by the combination of Pasireotide and Levamlodipine. Hypertension [BA00-BA04] [25]
Polyethylene glycol DM4I1JP Moderate Increased risk of ventricular arrhythmias by the combination of Pasireotide and Polyethylene glycol. Irritable bowel syndrome [DD91] [29]
Crizotinib DM4F29C Major Increased risk of prolong QT interval by the combination of Pasireotide and Crizotinib. Lung cancer [2C25] [25]
Ceritinib DMB920Z Major Increased risk of prolong QT interval by the combination of Pasireotide and Ceritinib. Lung cancer [2C25] [25]
Lurbinectedin DMEFRTZ Moderate Decreased metabolism of Pasireotide caused by Lurbinectedin mediated inhibition of CYP450 enzyme. Lung cancer [2C25] [36]
PF-06463922 DMKM7EW Moderate Decreased metabolism of Pasireotide caused by PF-06463922 mediated inhibition of CYP450 enzyme. Lung cancer [2C25] [37]
Osimertinib DMRJLAT Major Increased risk of prolong QT interval by the combination of Pasireotide and Osimertinib. Lung cancer [2C25] [25]
Pralsetinib DMWU0I2 Moderate Decreased metabolism of Pasireotide caused by Pralsetinib mediated inhibition of CYP450 enzyme. Lung cancer [2C25] [38]
Selpercatinib DMZR15V Major Increased risk of prolong QT interval by the combination of Pasireotide and Selpercatinib. Lung cancer [2C25] [29]
Calaspargase pegol DMQZBXI Moderate Increased risk of hepatotoxicity by the combination of Pasireotide and Calaspargase pegol. Malignant haematopoietic neoplasm [2B33] [39]
Idelalisib DM602WT Moderate Increased risk of hepatotoxicity by the combination of Pasireotide and Idelalisib. Mature B-cell leukaemia [2A82] [40]
IPI-145 DMWA24P Moderate Decreased metabolism of Pasireotide caused by IPI-145 mediated inhibition of CYP450 enzyme. Mature B-cell leukaemia [2A82] [41]
Acalabrutinib DM7GCVW Moderate Decreased metabolism of Pasireotide caused by Acalabrutinib mediated inhibition of CYP450 enzyme. Mature B-cell lymphoma [2A85] [42]
Ibrutinib DMHZCPO Moderate Decreased metabolism of Pasireotide caused by Ibrutinib mediated inhibition of CYP450 enzyme. Mature B-cell lymphoma [2A85] [43]
Vemurafenib DM62UG5 Major Increased risk of prolong QT interval by the combination of Pasireotide and Vemurafenib. Melanoma [2C30] [25]
LGX818 DMNQXV8 Major Increased risk of prolong QT interval by the combination of Pasireotide and LGX818. Melanoma [2C30] [25]
Siponimod DM2R86O Major Increased risk of ventricular arrhythmias by the combination of Pasireotide and Siponimod. Multiple sclerosis [8A40] [26]
Fingolimod DM5JVAN Major Increased risk of ventricular arrhythmias by the combination of Pasireotide and Fingolimod. Multiple sclerosis [8A40] [25]
Ozanimod DMT6AM2 Major Increased risk of ventricular arrhythmias by the combination of Pasireotide and Ozanimod. Multiple sclerosis [8A40] [44]
Entrectinib DMMPTLH Major Increased risk of prolong QT interval by the combination of Pasireotide and Entrectinib. Non-small cell lung cancer [2C25] [25]
Rucaparib DM9PVX8 Major Increased risk of prolong QT interval by the combination of Pasireotide and Rucaparib. Ovarian cancer [2C73] [25]
Triclabendazole DMPWGBR Major Increased risk of prolong QT interval by the combination of Pasireotide and Triclabendazole. Parasitic worm infestation [1F90] [25]
Istradefylline DM20VSK Moderate Decreased metabolism of Pasireotide caused by Istradefylline mediated inhibition of CYP450 enzyme. Parkinsonism [8A00] [45]
Macimorelin DMQYJIR Major Increased risk of prolong QT interval by the combination of Pasireotide and Macimorelin. Pituitary gland disorder [5A60-5A61] [46]
Relugolix DMK7IWL Major Increased risk of prolong QT interval by the combination of Pasireotide and Relugolix. Prostate cancer [2C82] [25]
Darolutamide DMV7YFT Minor Decreased metabolism of Pasireotide caused by Darolutamide mediated inhibition of CYP450 enzyme. Prostate cancer [2C82] [47]
Upadacitinib DM32B5U Moderate Decreased metabolism of Pasireotide caused by Upadacitinib mediated inhibition of CYP450 enzyme. Rheumatoid arthritis [FA20] [48]
Larotrectinib DM26CQR Moderate Decreased metabolism of Pasireotide caused by Larotrectinib mediated inhibition of CYP450 enzyme. Solid tumour/cancer [2A00-2F9Z] [26]
Triptorelin DMTK4LS Major Increased risk of prolong QT interval by the combination of Pasireotide and Triptorelin. Solid tumour/cancer [2A00-2F9Z] [25]
Pitolisant DM8RFNJ Major Increased risk of prolong QT interval by the combination of Pasireotide and Pitolisant. Somnolence [MG42] [25]
Lenvatinib DMB1IU4 Major Increased risk of prolong QT interval by the combination of Pasireotide and Lenvatinib. Thyroid cancer [2D10] [25]
Cabozantinib DMIYDT4 Major Increased risk of prolong QT interval by the combination of Pasireotide and Cabozantinib. Thyroid cancer [2D10] [25]
⏷ Show the Full List of 56 DDI Information of This Drug

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