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]

• Drug Type: Small molecular drug
• #Ro5 Violations (Lipinski): 4:
  Molecular Weight (mw); 1047.2
  Logarithm of the Partition Coefficient (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 [2]
  Half-life: The concentration or amount of drug in body reduced by one-half in 12 hours [3]
  Vd: The volume of distribution (Vd) of drug is 100 L []
• 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
• Repurposed Drugs (RPD): Click to Jump to the Detailed RPD Information of This Drug

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	[4]
Somatostatin receptor type 2 (SSTR2)	TTZ6T9E	SSR2_HUMAN	Inhibitor	[5]
Somatostatin receptor type 3 (SSTR3)	TTJX3UE	SSR3_HUMAN	Inhibitor	[6]
Somatostatin receptor type 5 (SSTR5)	TT2BC4G	SSR5_HUMAN	Inhibitor	[7]

Drug Off-Target (DOT)

DOT Name	DOT ID	UniProt ID	Interaction	REF
Somatostatin receptor type 1 (SSTR1)	OTFAGWO7	SSR1_HUMAN	Protein Interaction/Cellular Processes	[8]
Somatostatin receptor type 2 (SSTR2)	OTFN8JM1	SSR2_HUMAN	Protein Interaction/Cellular Processes	[8]
Somatostatin receptor type 3 (SSTR3)	OT0B1T93	SSR3_HUMAN	Protein Interaction/Cellular Processes	[8]
Somatostatin receptor type 4 (SSTR4)	OT2KZCK7	SSR4_HUMAN	Protein Interaction/Cellular Processes	[8]
Somatostatin receptor type 5 (SSTR5)	OTWVLRTM	SSR5_HUMAN	Protein Interaction/Cellular Processes	[8]

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

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]	[9]

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]	[10]
Ivosidenib	DM8S6T7	Major	Increased risk of prolong QT interval by the combination of Pasireotide and Ivosidenib.	Acute myeloid leukaemia [2A60]	[11]
Arn-509	DMT81LZ	Major	Increased risk of prolong QT interval by the combination of Pasireotide and Arn-509.	Acute myeloid leukaemia [2A60]	[9]
Gilteritinib	DMTI0ZO	Major	Increased risk of prolong QT interval by the combination of Pasireotide and Gilteritinib.	Acute myeloid leukaemia [2A60]	[9]
Oliceridine	DM6MDCF	Major	Increased risk of prolong QT interval by the combination of Pasireotide and Oliceridine.	Acute pain [MG31]	[12]
Ivabradine	DM0L594	Major	Increased risk of ventricular arrhythmias by the combination of Pasireotide and Ivabradine.	Angina pectoris [BA40]	[13]
Bedaquiline	DM3906J	Major	Increased risk of prolong QT interval by the combination of Pasireotide and Bedaquiline.	Antimicrobial drug resistance [MG50-MG52]	[9]
Levalbuterol	DM5YBO1	Moderate	Increased risk of ventricular arrhythmias by the combination of Pasireotide and Levalbuterol.	Asthma [CA23]	[14]
Pexidartinib	DMS2J0Z	Major	Increased risk of hepatotoxicity by the combination of Pasireotide and Pexidartinib.	Bone/articular cartilage neoplasm [2F7B]	[15]
Eribulin	DM1DX4Q	Major	Increased risk of prolong QT interval by the combination of Pasireotide and Eribulin.	Breast cancer [2C60-2C6Y]	[9]
PF-04449913	DMSB068	Major	Increased risk of prolong QT interval by the combination of Pasireotide and PF-04449913.	Chronic myelomonocytic leukaemia [2A40]	[9]
Olodaterol	DM62B78	Moderate	Increased risk of prolong QT interval by the combination of Pasireotide and Olodaterol.	Chronic obstructive pulmonary disease [CA22]	[16]
Deutetrabenazine	DMUPFLI	Major	Increased risk of prolong QT interval by the combination of Pasireotide and Deutetrabenazine.	Dystonic disorder [8A02]	[9]
Ingrezza	DMVPLNC	Major	Increased risk of prolong QT interval by the combination of Pasireotide and Ingrezza.	Dystonic disorder [8A02]	[9]
Cannabidiol	DM0659E	Moderate	Increased risk of hepatotoxicity by the combination of Pasireotide and Cannabidiol.	Epileptic encephalopathy [8A62]	[13]
Ripretinib	DM958QB	Moderate	Decreased metabolism of Pasireotide caused by Ripretinib mediated inhibition of CYP450 enzyme.	Gastrointestinal stromal tumour [2B5B]	[10]
Avapritinib	DMK2GZX	Moderate	Decreased metabolism of Pasireotide caused by Avapritinib mediated inhibition of CYP450 enzyme.	Gastrointestinal stromal tumour [2B5B]	[13]
Levobetaxolol	DMSREPX	Moderate	Increased risk of atrioventricular block by the combination of Pasireotide and Levobetaxolol.	Glaucoma [9C61]	[9]
177Lu-DOTATATE	DMT8GVU	Moderate	Interference of cell/tissue uptake of Pasireotide by 177Lu-DOTATATE.	Hepatitis virus infection [1E50-1E51]	[17]
MK-1439	DM215WE	Minor	Decreased metabolism of Pasireotide caused by MK-1439 mediated inhibition of CYP450 enzyme.	Human immunodeficiency virus disease [1C60-1C62]	[18]
Fostemsavir	DM50ILT	Major	Increased risk of prolong QT interval by the combination of Pasireotide and Fostemsavir.	Human immunodeficiency virus disease [1C60-1C62]	[9]
Rilpivirine	DMJ0QOW	Major	Increased risk of prolong QT interval by the combination of Pasireotide and Rilpivirine.	Human immunodeficiency virus disease [1C60-1C62]	[9]
Teriflunomide	DMQ2FKJ	Major	Increased risk of hepatotoxicity by the combination of Pasireotide and Teriflunomide.	Hyper-lipoproteinaemia [5C80]	[9]
BMS-201038	DMQTAGO	Major	Increased risk of hepatotoxicity by the combination of Pasireotide and BMS-201038.	Hyper-lipoproteinaemia [5C80]	[19]
Levamlodipine	DM92S6N	Moderate	Increased risk of atrioventricular block by the combination of Pasireotide and Levamlodipine.	Hypertension [BA00-BA04]	[9]
Polyethylene glycol	DM4I1JP	Moderate	Increased risk of ventricular arrhythmias by the combination of Pasireotide and Polyethylene glycol.	Irritable bowel syndrome [DD91]	[13]
Crizotinib	DM4F29C	Major	Increased risk of prolong QT interval by the combination of Pasireotide and Crizotinib.	Lung cancer [2C25]	[9]
Ceritinib	DMB920Z	Major	Increased risk of prolong QT interval by the combination of Pasireotide and Ceritinib.	Lung cancer [2C25]	[9]
Lurbinectedin	DMEFRTZ	Moderate	Decreased metabolism of Pasireotide caused by Lurbinectedin mediated inhibition of CYP450 enzyme.	Lung cancer [2C25]	[20]
PF-06463922	DMKM7EW	Moderate	Decreased metabolism of Pasireotide caused by PF-06463922 mediated inhibition of CYP450 enzyme.	Lung cancer [2C25]	[21]
Osimertinib	DMRJLAT	Major	Increased risk of prolong QT interval by the combination of Pasireotide and Osimertinib.	Lung cancer [2C25]	[9]
Pralsetinib	DMWU0I2	Moderate	Decreased metabolism of Pasireotide caused by Pralsetinib mediated inhibition of CYP450 enzyme.	Lung cancer [2C25]	[22]
Selpercatinib	DMZR15V	Major	Increased risk of prolong QT interval by the combination of Pasireotide and Selpercatinib.	Lung cancer [2C25]	[13]
Calaspargase pegol	DMQZBXI	Moderate	Increased risk of hepatotoxicity by the combination of Pasireotide and Calaspargase pegol.	Malignant haematopoietic neoplasm [2B33]	[23]
Idelalisib	DM602WT	Moderate	Increased risk of hepatotoxicity by the combination of Pasireotide and Idelalisib.	Mature B-cell leukaemia [2A82]	[24]
IPI-145	DMWA24P	Moderate	Decreased metabolism of Pasireotide caused by IPI-145 mediated inhibition of CYP450 enzyme.	Mature B-cell leukaemia [2A82]	[25]
Acalabrutinib	DM7GCVW	Moderate	Decreased metabolism of Pasireotide caused by Acalabrutinib mediated inhibition of CYP450 enzyme.	Mature B-cell lymphoma [2A85]	[26]
Ibrutinib	DMHZCPO	Moderate	Decreased metabolism of Pasireotide caused by Ibrutinib mediated inhibition of CYP450 enzyme.	Mature B-cell lymphoma [2A85]	[27]
Vemurafenib	DM62UG5	Major	Increased risk of prolong QT interval by the combination of Pasireotide and Vemurafenib.	Melanoma [2C30]	[9]
LGX818	DMNQXV8	Major	Increased risk of prolong QT interval by the combination of Pasireotide and LGX818.	Melanoma [2C30]	[9]
Siponimod	DM2R86O	Major	Increased risk of ventricular arrhythmias by the combination of Pasireotide and Siponimod.	Multiple sclerosis [8A40]	[10]
Fingolimod	DM5JVAN	Major	Increased risk of ventricular arrhythmias by the combination of Pasireotide and Fingolimod.	Multiple sclerosis [8A40]	[9]
Ozanimod	DMT6AM2	Major	Increased risk of ventricular arrhythmias by the combination of Pasireotide and Ozanimod.	Multiple sclerosis [8A40]	[28]
Entrectinib	DMMPTLH	Major	Increased risk of prolong QT interval by the combination of Pasireotide and Entrectinib.	Non-small cell lung cancer [2C25]	[9]
Rucaparib	DM9PVX8	Major	Increased risk of prolong QT interval by the combination of Pasireotide and Rucaparib.	Ovarian cancer [2C73]	[9]
Triclabendazole	DMPWGBR	Major	Increased risk of prolong QT interval by the combination of Pasireotide and Triclabendazole.	Parasitic worm infestation [1F90]	[9]
Istradefylline	DM20VSK	Moderate	Decreased metabolism of Pasireotide caused by Istradefylline mediated inhibition of CYP450 enzyme.	Parkinsonism [8A00]	[29]
Macimorelin	DMQYJIR	Major	Increased risk of prolong QT interval by the combination of Pasireotide and Macimorelin.	Pituitary gland disorder [5A60-5A61]	[30]
Relugolix	DMK7IWL	Major	Increased risk of prolong QT interval by the combination of Pasireotide and Relugolix.	Prostate cancer [2C82]	[9]
Darolutamide	DMV7YFT	Minor	Decreased metabolism of Pasireotide caused by Darolutamide mediated inhibition of CYP450 enzyme.	Prostate cancer [2C82]	[31]
Upadacitinib	DM32B5U	Moderate	Decreased metabolism of Pasireotide caused by Upadacitinib mediated inhibition of CYP450 enzyme.	Rheumatoid arthritis [FA20]	[32]
Larotrectinib	DM26CQR	Moderate	Decreased metabolism of Pasireotide caused by Larotrectinib mediated inhibition of CYP450 enzyme.	Solid tumour/cancer [2A00-2F9Z]	[10]
Triptorelin	DMTK4LS	Major	Increased risk of prolong QT interval by the combination of Pasireotide and Triptorelin.	Solid tumour/cancer [2A00-2F9Z]	[9]
Pitolisant	DM8RFNJ	Major	Increased risk of prolong QT interval by the combination of Pasireotide and Pitolisant.	Somnolence [MG42]	[9]
Lenvatinib	DMB1IU4	Major	Increased risk of prolong QT interval by the combination of Pasireotide and Lenvatinib.	Thyroid cancer [2D10]	[9]
Cabozantinib	DMIYDT4	Major	Increased risk of prolong QT interval by the combination of Pasireotide and Cabozantinib.	Thyroid cancer [2D10]	[9]

References

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• [5] 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. (Target id: 356).
• [6] 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. (Target id: 357).
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