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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL975
CHEMBL975
Compound Name MESNA
ChEMBL Synonyms MESNEX | UROMITEXAN | MISTABRON | MESNA | D 7093
Max Phase 4 (Approved)
Trade Names MESNA | MESNEX | MISTABRON | UROMITEXAN
Molecular Formula C2H5NaO3S2

Additional synonyms for CHEMBL975 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES [Na+].[O-]S(=O)(=O)CCS
Standard InChI InChI=1S/C2H6O3S2.Na/c3-7(4,5)2-1-6;/h6H,1-2H2,(H,3,4,5);/q; ...
Download InChI
Standard InChI Key XOGTZOOQQBDUSI-UHFFFAOYSA-M

Sources

  • British National Formulary
  • DrugMatrix
  • Orange Book
  • PubChem BioAssays
  • Scientific Literature
  • USP Dictionary of USAN and International Drug Names
  • WHO Anatomical Therapeutic Chemical Classification

Alternate Forms of Compound in ChEMBL


CHEMBL975

Molecule Features

CHEMBL975 compound icon
Drug Type:Synthetic Small Molecule Rule of Five:Y First In Class:N Chirality:Achiral Molecule Prodrug:N Oral:Y Parenteral:Y Topical:N Black Box:Y Availability Type:Prescription-only

Mechanism of Action

Mechanism of Action ChEMBL Target References
Unknown Not Available FDA

Indications

MESH Heading MESH ID EFO ID EFO Term Max phase for indication References
Carcinoma, HepatocellularD006528EFO:0000182hepatocellular carcinoma2ClinicalTrials
Hematologic NeoplasmsD019337EFO:0001642lymphoid neoplasm2ClinicalTrials
Lymphoma, Mantle-CellD020522EFO:1001469Mantle cell lymphoma2ClinicalTrials
RetinoblastomaD012175Orphanet:790Retinoblastoma2ClinicalTrials
Testicular NeoplasmsD013736EFO:0005088testicular carcinoma2ClinicalTrials
Burkitt LymphomaD002051EFO:0000309Burkitts lymphoma2ClinicalTrials
Lupus Erythematosus, SystemicD008180EFO:0002690systemic lupus erythematosus2ClinicalTrials
NeoplasmsD009369EFO:0000311cancer1ClinicalTrials
Neoplasms, Germ Cell and EmbryonalD009373EFO:0000514germ cell tumor2ClinicalTrials
Breast NeoplasmsD001943EFO:0000305breast carcinoma3ClinicalTrials
Kidney NeoplasmsD007680EFO:0003865kidney neoplasm1ClinicalTrials
Lymphoma, FollicularD008224EFO:0000096neoplasm of mature B-cells2ClinicalTrials
Lymphoma, Large B-Cell, DiffuseD016403EFO:0000403diffuse large B-cell lymphoma3ClinicalTrials
SarcomaD012509EFO:0000691sarcoma3ClinicalTrials
Hodgkin DiseaseD006689EFO:0000183Hodgkins lymphoma2ClinicalTrials
LymphomaD008223EFO:0000574lymphoma3ClinicalTrials
MelanomaD008545EFO:0000756melanoma2ClinicalTrials
Precursor Cell Lymphoblastic Leukemia-LymphomaD054198EFO:0000220acute lymphoblastic leukemia2ClinicalTrials
Primary MyelofibrosisD055728EFO:0002430primary myelofibrosis1ClinicalTrials
SarcomaD012509EFO:1001968soft tissue sarcoma3ClinicalTrials
Anemia, AplasticD000741HP:0001915aplastic anemia2ClinicalTrials
Anemia, Sickle CellD000755Orphanet:232Sickle cell anemia2ClinicalTrials
LeukemiaD007938EFO:0000565leukemia3ClinicalTrials
Lung NeoplasmsD008175EFO:0001071lung carcinoma3ClinicalTrials
Multiple SclerosisD009103EFO:0003885multiple sclerosis2ClinicalTrials
Breast NeoplasmsD001943EFO:0003869breast neoplasm3ClinicalTrials
Multiple Sclerosis, Relapsing-RemittingD020529EFO:0003929relapsing-remitting multiple sclerosis3ClinicalTrials
Acute Kidney InjuryD058186HP:0001919Acute kidney injury2ClinicalTrials
Leukemia, Lymphocytic, Chronic, B-CellD015451EFO:0000095chronic lymphocytic leukemia2ClinicalTrials
Leukemia, LymphoidD007945EFO:0004289lymphoid leukemia2ClinicalTrials
Lymphoma, Non-HodgkinD008228EFO:0005952non-Hodgkins lymphoma2ClinicalTrials
Renal Insufficiency, ChronicD051436EFO:0003884chronic kidney disease2ClinicalTrials
Scleroderma, SystemicD012595EFO:0000717systemic scleroderma1ClinicalTrials
Crohn DiseaseD003424EFO:0000384Crohn's disease1ClinicalTrials
Leukemia, Myeloid, AcuteD015470EFO:0000222acute myeloid leukemia1ClinicalTrials
Multiple MyelomaD009101EFO:0001378multiple myeloma2ClinicalTrials
Myelodysplastic SyndromesD009190EFO:0000198myelodysplastic syndrome1ClinicalTrials
NeuroblastomaD009447EFO:0000621neuroblastoma3ClinicalTrials
OsteosarcomaD012516EFO:0000637osteosarcoma1ClinicalTrials

Clinical Data

ClinicalTrials.gov MESNA
The Cochrane Collaboration MESNA

Compound Bioactivity Summary

Compound Assay Summary

Compound Target Summary

Calculated Compound Parent Properties

Mol. Weight Mol. Weight Monoisotopic ALogP #Rotatable Bonds Polar Surface Area Molecular Species
142.2 141.9758 -0.2 2 54.37 ACID


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
3 2 0 3 1 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
1.5 - -1.41 -4.91 0 7 0.41

Structural Alerts

There are 10 structural alerts for CHEMBL975. To view alerts please click here.

Compound Cross References

ATC R - RESPIRATORY SYSTEM
R05 - COUGH AND COLD PREPARATIONS
R05C - EXPECTORANTS, EXCL. COMBINATIONS WITH COUGH SUPPRESSANTS
R05CB - Mucolytics
R05CB05 - mesna

V - VARIOUS
V03 - ALL OTHER THERAPEUTIC PRODUCTS
V03A - ALL OTHER THERAPEUTIC PRODUCTS
V03AF - Detoxifying agents for antineoplastic treatment
V03AF01 - mesna

ChemSpider ChemSpider:XOGTZOOQQBDUSI-UHFFFAOYSA-M
DailyMed mesna
PubChem SID: 144208061 SID: 170464862 SID: 26748569 SID: 555156
Wikipedia Mesna

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL975



ACToR 19767-45-4
ChEBI 31824
ChemicalBook CB7277461
eMolecules 2724743 902102
EPA CompTox Dashboard DTXSID1020809
FDA SRS NR7O1405Q9
MolPort MolPort-003-666-395
NIH Clinical Collection SAM002548937
Nikkaji J10.961D
PubChem 23662354
PubChem: Thomson Pharma 15219422
Selleck Mesna(Uromitexan)
SureChEMBL SCHEMBL7993

UniChem REST Service Call:
https://www.ebi.ac.uk/unichem/rest/verbose_inchikey/XOGTZOOQQBDUSI-UHFFFAOYSA-M spacer
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