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Compound Detail

CHEMBL5483015

ARSENIC TRIOXIDE
💊 Approved Drug
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💊 Approved Drug
O=[As][As+](=O)[O-]
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5483015
Name ARSENIC TRIOXIDE
Phase Approved
Structure Type MOL
InChI Key MOQADKPFYVWPSE-UHFFFAOYSA-N
Therapeutic ✓ Yes

Known Names

Arseneous anhydride Arseneous oxide Arsenic oxide Arsenic oxide (as4o6) Arsenic sesquioxide Arsenic trioxide Arsenic trioxide accord Arsenic trioxide medac Arsenic trioxide mylan Arsenicum album Arsenous oxide Diarsenic trioxide +5 more
9
Targets
13
Activities
2
Assay Types
4
PK Parameters
20
Publications
17
Known Names
20
Indications
1
Mechanisms

Molecular Properties

197.8
MW (Da)

Drug Information

Molecule Type Small molecule
First Approval 2000
Availability Prescription
Chirality Achiral

Routes of Administration

Parenteral

Flags

Black Box Warning
USAN Year 2001

Extended Properties

Molecular Formula As2O3
MW 197.84

Mechanism of Action

Mechanism Action Type Target Direct Efficacy
Thioredoxin reductase 1 inhibitor INHIBITOR Thioredoxin reductase 1, cytoplasmic ✓ ✓

Indications

Leukemia, Promyelocytic, Acute Neoplasms Neoplasms Leukemia Leukemia, Myeloid, Acute Myelodysplastic Syndromes Breast Neoplasms Bronchiolitis Obliterans Syndrome Carcinoma, Hepatocellular Endometrial Neoplasms Esophageal Neoplasms Kidney Neoplasms Leukemia, Lymphocytic, Chronic, B-Cell Liver Neoplasms Lung Neoplasms Lung Neoplasms Lupus Erythematosus, Systemic Lymphoma Multiple Myeloma Neoplasms, Plasma Cell

ATC Classification

L01XX27
arsenic trioxide
Level 1: ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
Level 2: ANTINEOPLASTIC AGENTS

Drug Warnings

Black Box Warning
carcinogenicity
Country: United States
Black Box Warning
cardiotoxicity
Country: United States

Activity Summary

IC50 10 meas. best 6.4
Kd 3 meas. best 7.28

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Somatostatin receptor type 1
CHEMBL4652
 Kd 7.28 7.28 52.5 1
Daoy
CHEMBL612519
 IC50 6.4 6.4 400.0 1
Unchecked
CHEMBL612545
 IC50 6.4 6.4 400.0 1
NB-4
CHEMBL614188
 IC50 6.03 5.655 940.0 2
U-937
CHEMBL612794
 IC50 5.97 5.97 1070.0 1
HL-60
CHEMBL383
 IC50 5.3 5.2433 4970.0 3
Jurkat E6.1
CHEMBL4296446
 IC50 5.13 5.13 7320.0 1
Lymphocyte
CHEMBL5314318
 IC50 4.82 4.82 15270.0 1
Somatostatin receptor type 2
CHEMBL2978
 Kd 4.6 4.6 25118.9 1

Pharmacokinetic Data

Parameter Value Units Species
T1/2 1.0 hr Homo sapiens
T1/2 6.0 hr Homo sapiens
T1/2 3.7 hr Rattus norvegicus
T1/2 4.3 hr Mus musculus

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Somatostatin receptor type 1 Kd = 52.48 nM 7.28 Displacement of [125I]SRIF14 from rat sst1 receptor from rat brain cortex membra... 17512199
Daoy IC50 = 400.0 nM 6.4 Antiproliferative activity against human Daoy cells assessed as inhibition of ce... 33636537
Unchecked IC50 = 400.0 nM 6.4 Antiproliferative activity against human D556 Med cells assessed as inhibition o... 33636537
NB-4 IC50 = 940.0 nM 6.03 Antiproliferative activity against human NB4 cells expressing PML/RARalpha asses... 38069817
U-937 IC50 = 1070.0 nM 5.97 Cytotoxicity against p53 null human U-937 cells harboring p53 V272M mutant incub... 38069817
HL-60 IC50 = 4970.0 nM 5.3 Cytotoxicity against human HL60 cells after 24 hrs by MTT assay 29398445
NB-4 IC50 = 5310.0 nM 5.28 Antiproliferative activity against human NB-4 cells 33310284
HL-60 IC50 = 5700.0 nM 5.24 Cytotoxicity against human HL60 cells assessed as inhibition of proliferation af... 24867309
HL-60 IC50 = 6500.0 nM 5.19 Cytotoxicity against human HL60 cells assessed as inhibition of proliferation af... 24867309
Jurkat E6.1 IC50 = 7320.0 nM 5.13 Cytotoxicity against human Jurkat E6-1 cells after 24 hrs by MTT assay 29398445
Lymphocyte IC50 = 15270.0 nM 4.82 Cytotoxicity against human lymphocytes after 24 to 48 hrs by MTT assay 29398445
Somatostatin receptor type 2 Kd = 25118.86 nM 4.6 Displacement of [125I]SRIF14 from rat sst2 receptor from rat brain cortex membra... 17512199

Literature References

PubMed DOI Target Context # Activities
38069817 10.1021/acs.jmedchem.3c00104 NB-4 17
22194678 10.1371/journal.pcbi.1002310 Hepatotoxicity 14
17640917 10.1073/pnas.0701549104 Thioredoxin reductase 1, cytoplasmic 10
38069817 10.1021/acs.jmedchem.3c00104 PML-RARalpha 5
17640917 10.1073/pnas.0701549104 Thioredoxin reductase 2, mitochondrial 4
38069817 10.1021/acs.jmedchem.3c00104 ADMET 4
17640917 10.1073/pnas.0701549104 MCF7 3
38069817 10.1021/acs.jmedchem.3c00104 U-937 2
- 10.6019/CHEMBL4495565 SARS-CoV-2 2
29398445 10.1016/j.bmc.2017.12.022 Unchecked 2
26948801 10.1016/j.drudis.2016.02.015 Homo sapiens 2
24867309 10.1021/jm500221p HL-60 2
24867309 10.1021/jm500221p HeLa 1
24867309 10.1021/jm500221p HepG2 1
24867309 10.1021/jm500221p NON-PROTEIN TARGET 1
20843939 10.1124/dmd.110.035113 Hepatotoxicity 1
20553011 10.1021/tx1000865 Hepatotoxicity 1
29398445 10.1016/j.bmc.2017.12.022 Jurkat E6.1 1
29398445 10.1016/j.bmc.2017.12.022 Lymphocyte 1
17640917 10.1073/pnas.0701549104 Unchecked 1

Data from ChEMBL 36 via Core Engine