Details of the Drug

General Information of Drug (ID: DM2HRKE)

• Drug Name: Pentosan Polysulfate
• Synonyms: Elmiron; Pentosan sulfuric polyester; Polypentose sulfate; Elmiron (TN); Xylan,hydrogen sulfate; [(2R,3R,4S,5R)-2-hydroxy-5-[(2S,3R,4S,5R)-5-hydroxy-3,4-disulfooxyoxan-2-yl]oxy-3-sulfooxyoxan-4-yl] hydrogen sulfate

Indication

Disease Entry	ICD 11	Status	REF
Interstitial cystitis	GC00.3	Approved	[1]
Painful bladder syndrome	MG30.50	Approved	[1]

• Therapeutic Class: Anticoagulants
• Affected Organisms: Humans and other mammals
• Drug Type: Small molecular drug
• #Ro5 Violations (Lipinski): 4:
  Molecular Weight (mw); 602.5
  Logarithm of the Partition Coefficient (xlogp); -5.6
  Rotatable Bond Count (rotbonds); 10
  Hydrogen Bond Donor Count (hbonddonor); 6
  Hydrogen Bond Acceptor Count (hbondacc); 21
• ADMET Property:
  Absorption: The drug is systemically absorbed, approximately 50% []
  Half-life: The concentration or amount of drug in body reduced by one-half in 4.8 hours [2]
• Chemical Identifiers:
  Formula: C10H18O21S4
  IUPAC Name: [(2R,3R,4S,5R)-2-hydroxy-5-[(2S,3R,4S,5R)-5-hydroxy-3,4-disulfooxyoxan-2-yl]oxy-3-sulfooxyoxan-4-yl] hydrogen sulfate
  Canonical SMILES: C1[C@H]([C@@H]([C@H]([C@@H](O1)O[C@@H]2CO[C@H]([C@@H]([C@H]2OS(=O)(=O)O)OS(=O)(=O)O)O)OS(=O)(=O)O)OS(=O)(=O)O)O
  InChI: InChI=1S/C10H18O21S4/c11-3-1-26-10(8(31-35(22,23)24)5(3)28-32(13,14)15)27-4-2-25-9(12)7(30-34(19,20)21)6(4)29-33(16,17)18/h3-12H,1-2H2,(H,13,14,15)(H,16,17,18)(H,19,20,21)(H,22,23,24)/t3-,4-,5+,6+,7-,8-,9-,10+/m1/s1
  InChIKey: FCCNSUIJIOOXEZ-SJYYZXOBSA-N
• Cross-matching ID:
  PubChem CID: 37720
  CAS Number: 37300-21-3
  UNII: F59P8B75R4
  DrugBank ID: DB00686
  TTD ID: D0F8CM
  ACDINA ID: D00516
• Drug ADMET Endpoint Profile (DAE)NEW: Click to Jump to the Detailed DAE Information of This Drug
• 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
Fibroblast growth factor-4 (FGF4)	TTCEKVZ	FGF4_HUMAN	Modulator	[3]

Drug Off-Target (DOT)

DOT Name	DOT ID	UniProt ID	Interaction	REF
Metalloproteinase inhibitor 3 (TIMP3)	OTDGQAD1	TIMP3_HUMAN	Protein Interaction/Cellular Processes	[4]

Molecular Expression Atlas of This Drug

• ICD Disease Classification: 16 Disease of the genitourinary system
• Disease Class: ICD-11: GA10 Endometriosis
• The Studied Tissue: Bladder tissue
• The Studied Disease: Interstitial cystitis [ICD-11:GA10]

Molecule Name	Molecule Type	Gene Name	p-value	Fold-Change	Z-score
Fibroblast growth factor-4 (FGF4)	DTT	FGF4	1.74E-01	0.04	0.45

Drug-Drug Interaction (DDI) Information of This Drug

Coadministration of a Drug Treating the Disease Different from Pentosan Polysulfate (Comorbidity)

DDI Drug Name	DDI Drug ID	Severity	Mechanism	Comorbidity	REF
Inotersen	DMJ93CT	Moderate	Increased risk of bleeding by the combination of Pentosan polysulfate and Inotersen.	Amyloidosis [5D00]	[5]
Cilostazol	DMZMSCT	Moderate	Increased risk of bleeding by the combination of Pentosan polysulfate and Cilostazol.	Arterial occlusive disease [BD40]	[5]
Trastuzumab Emtansine	DMU1LXS	Moderate	Increased risk of bleeding by the combination of Pentosan polysulfate and Trastuzumab Emtansine.	Breast cancer [2C60-2C6Y]	[5]
Anisindione	DM2C48U	Moderate	Increased risk of bleeding by the combination of Pentosan polysulfate and Anisindione.	Coagulation defect [3B10]	[5]
Regorafenib	DMHSY1I	Moderate	Increased risk of bleeding by the combination of Pentosan polysulfate and Regorafenib.	Colorectal cancer [2B91]	[5]
Intedanib	DMSTA36	Moderate	Increased risk of bleeding by the combination of Pentosan polysulfate and Intedanib.	Colorectal cancer [2B91]	[5]
Ardeparin	DMYRX8B	Moderate	Increased risk of bleeding by the combination of Pentosan polysulfate and Ardeparin.	Coronary thrombosis [BA43]	[5]
Danaparoid	DM6CLBN	Moderate	Increased risk of bleeding by the combination of Pentosan polysulfate and Danaparoid.	Deep vein thrombosis [BD71]	[5]
Rivaroxaban	DMQMBZ1	Moderate	Increased risk of bleeding by the combination of Pentosan polysulfate and Rivaroxaban.	Deep vein thrombosis [BD71]	[5]
Heme	DMGC287	Moderate	Increased risk of bleeding by the combination of Pentosan polysulfate and Heme.	Discovery agent [N.A.]	[6]
Tazemetostat	DMWP1BH	Moderate	Increased risk of bleeding by the combination of Pentosan polysulfate and Tazemetostat.	Follicular lymphoma [2A80]	[5]
Avapritinib	DMK2GZX	Moderate	Increased risk of bleeding by the combination of Pentosan polysulfate and Avapritinib.	Gastrointestinal stromal tumour [2B5B]	[5]
Sulfinpyrazone	DMEV954	Moderate	Increased risk of bleeding by the combination of Pentosan polysulfate and Sulfinpyrazone.	Gout [FA25]	[5]
Tipranavir	DM8HJX6	Moderate	Increased risk of bleeding by the combination of Pentosan polysulfate and Tipranavir.	Human immunodeficiency virus disease [1C60-1C62]	[5]
Dipyridamole	DMXY30O	Moderate	Increased risk of bleeding by the combination of Pentosan polysulfate and Dipyridamole.	Hypertension [BA00-BA04]	[5]
Acalabrutinib	DM7GCVW	Moderate	Increased risk of bleeding by the combination of Pentosan polysulfate and Acalabrutinib.	Mature B-cell lymphoma [2A85]	[5]
Ibrutinib	DMHZCPO	Moderate	Increased risk of bleeding by the combination of Pentosan polysulfate and Ibrutinib.	Mature B-cell lymphoma [2A85]	[5]
Ponatinib	DMYGJQO	Moderate	Increased risk of bleeding by the combination of Pentosan polysulfate and Ponatinib.	Mature B-cell lymphoma [2A85]	[5]
Panobinostat	DM58WKG	Moderate	Increased risk of bleeding by the combination of Pentosan polysulfate and Panobinostat.	Multiple myeloma [2A83]	[5]
Fedratinib	DM4ZBK6	Moderate	Increased risk of bleeding by the combination of Pentosan polysulfate and Fedratinib.	Myeloproliferative neoplasm [2A20]	[5]
Ruxolitinib	DM7Q98D	Moderate	Increased risk of bleeding by the combination of Pentosan polysulfate and Ruxolitinib.	Myeloproliferative neoplasm [2A20]	[5]
Dasatinib	DMJV2EK	Moderate	Increased risk of bleeding by the combination of Pentosan polysulfate and Dasatinib.	Myeloproliferative neoplasm [2A20]	[5]
Prasugrel	DM7MT6E	Moderate	Increased risk of bleeding by the combination of Pentosan polysulfate and Prasugrel.	Myocardial infarction [BA41-BA43]	[5]
Vorapaxar	DMA16BR	Moderate	Increased risk of bleeding by the combination of Pentosan polysulfate and Vorapaxar.	Myocardial infarction [BA41-BA43]	[5]
Tirofiban	DMQG17S	Moderate	Increased risk of bleeding by the combination of Pentosan polysulfate and Tirofiban.	Myocardial infarction [BA41-BA43]	[5]
Aspirin	DM672AH	Moderate	Increased risk of bleeding by the combination of Pentosan polysulfate and Aspirin.	Pain [MG30-MG3Z]	[5]
Epoprostenol	DMUTYR2	Moderate	Increased risk of bleeding by the combination of Pentosan polysulfate and Epoprostenol.	Pulmonary hypertension [BB01]	[5]
Iloprost	DMVPZBE	Moderate	Increased risk of bleeding by the combination of Pentosan polysulfate and Iloprost.	Pulmonary hypertension [BB01]	[5]
Plicamycin	DM7C8YV	Moderate	Increased risk of bleeding by the combination of Pentosan polysulfate and Plicamycin.	Testicular cancer [2C80]	[5]
Caplacizumab	DMPUKA7	Moderate	Increased risk of bleeding by the combination of Pentosan polysulfate and Caplacizumab.	Thrombocytopenia [3B64]	[5]
Apixaban	DM89JLN	Moderate	Increased risk of bleeding by the combination of Pentosan polysulfate and Apixaban.	Thrombosis [DB61-GB90]	[5]
Cangrelor	DM8JRH0	Moderate	Increased risk of bleeding by the combination of Pentosan polysulfate and Cangrelor.	Thrombosis [DB61-GB90]	[5]
Brilinta	DMBR01X	Moderate	Increased risk of bleeding by the combination of Pentosan polysulfate and Brilinta.	Thrombosis [DB61-GB90]	[5]
Clopidogrel	DMOL54H	Moderate	Increased risk of bleeding by the combination of Pentosan polysulfate and Clopidogrel.	Thrombosis [DB61-GB90]	[5]
Cabozantinib	DMIYDT4	Moderate	Increased risk of bleeding by the combination of Pentosan polysulfate and Cabozantinib.	Thyroid cancer [2D10]	[5]
Betrixaban	DM2C4RF	Moderate	Increased risk of bleeding by the combination of Pentosan polysulfate and Betrixaban.	Venous thromboembolism [BD72]	[5]

Drug Inactive Ingredient(s) (DIG) and Formulation(s) of This Drug

DIG

DIG Name	DIG ID	PubChem CID	Functional Classification
Allura red AC dye	E00338	33258	Colorant
FD&C blue no. 1	E00263	19700	Colorant
FD&C blue no. 2	E00446	2723854	Colorant
Quinoline yellow WS	E00309	24671	Colorant
Butyl alcohol	E00011	263	Flavoring agent; Solvent
Ferric oxide black	E00522	16211978	Colorant
Ferrosoferric oxide	E00231	14789	Colorant
Gelatin	E00630	Not Available	Other agent
Magnesium stearate	E00208	11177	lubricant
Propylene glycol	E00040	1030	Antimicrobial preservative; Humectant; Plasticizing agent; Solvent
Titanium dioxide	E00322	26042	Coating agent; Colorant; Opacifying agent
Acid blue 9 aluminum lake	E00583	56841154	Colorant
Cellulose microcrystalline	E00698	Not Available	Adsorbent; Suspending agent; Diluent

Pharmaceutical Formulation

Formulation Name	Drug Dosage	Dosage Form	Route
Pentosan polysulfate 100 mg capsule	100 mg	Oral Capsule	Oral
Pentosan Polysulfate Sodium 100mg capsule	100mg	Capsule	Oral

Jump to Detail Pharmaceutical Formulation Page of This Drug

References

• [1] FDA Approved Drug Products from FDA Official Website. 2009. Application Number: (NDA) 020193.
• [2] Trend Analysis of a Database of Intravenous Pharmacokinetic Parameters in Humans for 1352 Drug Compounds
• [3] Drugs@FDA. U.S. Food and Drug Administration. U.S. Department of Health & Human Services.
• [4] Pentosan polysulfate decreases proliferation and extracellular matrix deposition by vascular smooth muscle cells isolated from failed hemodialysis access grafts. Clin Nephrol. 2000 Aug;54(2):121-7.
• [5] Product Information. Brukinsa (zanubrutinib). BeiGene USA, Inc, San Mateo, CA.
• [6] Product Information. Panhematin (hemin). Recordati Rare Diseases Inc, Lebanon, NJ.