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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL1200978
CHEMBL1200978
Compound Name ARSENIC TRIOXIDE
ChEMBL Synonyms ARSENIC TRIOXIDE | TRISENOX
Max Phase 4 (Approved)
Trade Names TRISENOX
Molecular Formula As2O3

Additional synonyms for CHEMBL1200978 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES O=[As]O[As]=O
Standard InChI InChI=1S/As2O3/c3-1-5-2-4
Standard InChI Key IKWTVSLWAPBBKU-UHFFFAOYSA-N

Sources

  • Gene Expression Atlas Compounds
  • 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


CHEMBL1200978

Molecule Features

CHEMBL1200978 compound icon
Drug Type:Inorganic Rule of Five:N First In Class:N Chirality:Achiral Molecule Prodrug:N Oral:N Parenteral:Y Topical:N Black Box:Y Availability Type:Prescription-only

Mechanism of Action

Mechanism of Action ChEMBL Target References
Thioredoxin reductase 1 inhibitor Thioredoxin reductase 1 PubMed

Indications

MESH Heading MESH ID EFO ID EFO Term Max phase for indication References
Endometrial NeoplasmsD016889EFO:1001512endometrial carcinoma2ClinicalTrials
Small Cell Lung CarcinomaD055752EFO:0000702small cell lung carcinoma2ClinicalTrials
Urinary Bladder NeoplasmsD001749EFO:0000292bladder carcinoma2ClinicalTrials
Carcinoma, HepatocellularD006528EFO:0000182hepatocellular carcinoma2ClinicalTrials
NeoplasmsD009369EFO:0000616neoplasm4ATC
ClinicalTrials
Pancreatic NeoplasmsD010190EFO:0002618pancreatic carcinoma2ClinicalTrials
Prostatic NeoplasmsD011471EFO:0001663prostate carcinoma2ClinicalTrials
Brain NeoplasmsD001932EFO:0003833brain neoplasm1ClinicalTrials
Leukemia, Myeloid, AcuteD015470EFO:0000222acute myeloid leukemia3ClinicalTrials
Lung NeoplasmsD008175EFO:0001071lung carcinoma2ClinicalTrials
Lupus Erythematosus, SystemicD008180EFO:0002690systemic lupus erythematosus2ClinicalTrials
Primary MyelofibrosisD055728EFO:0002430primary myelofibrosis1ClinicalTrials
Breast NeoplasmsD001943EFO:0000305breast carcinoma2ClinicalTrials
MelanomaD008545EFO:0002617metastatic melanoma1ClinicalTrials
Polycythemia VeraD011087EFO:0002429polycythemia vera1ClinicalTrials
Leukemia, Promyelocytic, AcuteD015473EFO:0000224acute promyelocytic leukemia4ClinicalTrials
DailyMed
LeukemiaD007938EFO:0000565leukemia3ClinicalTrials
Leukemia, Lymphocytic, Chronic, B-CellD015451EFO:0000095chronic lymphocytic leukemia2ClinicalTrials
Leukemia, Myelogenous, Chronic, BCR-ABL PositiveD015464EFO:0000339chronic myelogenous leukemia1ClinicalTrials
Multiple MyelomaD009101EFO:0001378multiple myeloma2ClinicalTrials
NeoplasmsD009369EFO:0000311cancer4ClinicalTrials
Thrombocythemia, EssentialD013920EFO:0000479essential thrombocythemia1ClinicalTrials
Urethral NeoplasmsD014523EFO:0003846urethral neoplasm2ClinicalTrials
Carcinoma, Non-Small-Cell LungD002289EFO:0003060non-small cell lung carcinoma1ClinicalTrials
Carcinoma, Renal CellD002292EFO:0002890renal carcinoma2ClinicalTrials
Graft vs Host DiseaseD006086EFO:0004599acute graft vs. host disease2ClinicalTrials
LymphomaD008223EFO:0000574lymphoma2ClinicalTrials
Colorectal NeoplasmsD015179EFO:1001951colorectal carcinoma1ClinicalTrials
GliomaD005910EFO:0000326central nervous system cancer1ClinicalTrials
GliosarcomaD018316EFO:1001465gliosarcoma1ClinicalTrials
Myelodysplastic SyndromesD009190EFO:0000198myelodysplastic syndrome3ClinicalTrials
Ureteral NeoplasmsD014516EFO:0003844ureteral neoplasm2ClinicalTrials
Uterine Cervical NeoplasmsD002583EFO:0001061cervical carcinoma2ClinicalTrials

Clinical Data

ClinicalTrials.gov ARSENIC TRIOXIDE
The Cochrane Collaboration ARSENIC TRIOXIDE

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
197.8 197.8279 - - - -


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
- - - - - -


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- - - - - - -0

Structural Alerts

There are no structural alerts for CHEMBL1200978

Compound Cross References

ATC L - ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
L01 - ANTINEOPLASTIC AGENTS
L01X - OTHER ANTINEOPLASTIC AGENTS
L01XX - Other antineoplastic agents
L01XX27 - arsenic trioxide

ChemSpider ChemSpider:IKWTVSLWAPBBKU-UHFFFAOYSA-N
DailyMed arsenic trioxide
PubChem SID: 26758061
Wikipedia Arsenic_trioxide

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL1200978



ACToR 1327-53-3
Atlas arsenic trioxide arsenic oxide
Brenda 13269
DrugBank DB01169
DrugCentral 244
eMolecules 478624
PubChem 261004
PubChem: Thomson Pharma 15195475
SureChEMBL SCHEMBL4605

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