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Compound Detail

CHEMBL477683

PHENYLARSINE OXIDE
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O=[As]c1ccccc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL477683
Name PHENYLARSINE OXIDE
Phase Preclinical
Structure Type MOL
InChI Key BQVCCPGCDUSGOE-UHFFFAOYSA-N
4
Targets
11
Activities
2
Assay Types
0
PK Parameters
20
Publications
0
Known Names

Molecular Properties

168.0
MW (Da)

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C6H5AsO
MW 168.03

Activity Summary

EC50 8 meas. best 9.35
IC50 3 meas. best 7.52

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Trypanosoma brucei brucei
CHEMBL612851
 EC50 9.35 9.0171 0.5 7
NB-4
CHEMBL614188
 IC50 7.52 7.52 30.0 1
ADMET
CHEMBL612558
 IC50 5.91 5.87 1240.0 2
HEK-293T
CHEMBL3706568
 EC50 5.19 5.19 6400.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Trypanosoma brucei brucei EC50 = 0.45 nM 9.35 Antitrypanosomal activity against TbAt1-deficient bloodstraem form of Trypanosom... 24900279
Trypanosoma brucei brucei EC50 = 0.66 nM 9.18 Antitrypanosomal activity against bloodstream form of Trypanosoma brucei brucei ... 24900279
Trypanosoma brucei brucei EC50 = 1.1 nM 8.96 Anti-parasitic activity against bloodstream trypomastigote stage of wild-type Tr... 28112515
Trypanosoma brucei brucei EC50 = 1.1 nM 8.96 Anti-parasitic activity against bloodstream trypomastigote stage of wild-type Tr... 29544150
Trypanosoma brucei brucei EC50 = 1.3 nM 8.89 Antitrypanosomal activity against TbAt1-deficient bloodstraem form Trypanosoma b... 24900279
Trypanosoma brucei brucei EC50 = 1.3 nM 8.89 Anti-parasitic activity against bloodstream trypomastigote stage of Trypanosoma ... 29544150
Trypanosoma brucei brucei EC50 = 1.3 nM 8.89 Anti-parasitic activity against bloodstream trypomastigote stage of Trypanosoma ... 29544150
NB-4 IC50 = 30.0 nM 7.52 Antiproliferative activity against human NB4 cells expressing PML/RARalpha asses... 38069817
ADMET IC50 = 1240.0 nM 5.91 Cytotoxicity against HEK293T cells after 16 hrs by alamar blue staining 17698622
ADMET IC50 = 1490.0 nM 5.83 Cytotoxicity against HEK cells after 16 hrs by resazurin-based fluorescence assa... 25007262
HEK-293T EC50 = 6400.0 nM 5.19 Cytotoxicity against human HEK293T cells after 72 hrs by alamar blue assay 24900279

Literature References

PubMed DOI Target Context # Activities
29544150 10.1016/j.ejmech.2018.02.075 Trypanosoma brucei brucei 5
24900279 10.1021/ml200160k Trypanosoma brucei brucei 3
28112515 10.1021/acs.jmedchem.6b01740 Unchecked 2
38069817 10.1021/acs.jmedchem.3c00104 Cellular tumor antigen p53 2
25007262 10.1021/jm500483b ADMET 1
38069817 10.1021/acs.jmedchem.3c00104 PML-RARalpha 1
24900279 10.1021/ml200160k HEK-293T 1
38069817 10.1021/acs.jmedchem.3c00104 NB-4 1
37729094 10.1021/acs.jmedchem.3c00697 Unchecked 1
35178188 10.1021/acsmedchemlett.1c00717 HEK293 1
33940464 10.1016/j.ejmech.2021.113470 HEK-293T 1
29673980 10.1016/j.bmcl.2018.04.001 Staphylococcus aureus 1
29544150 10.1016/j.ejmech.2018.02.075 HFF 1
26231081 10.1016/j.ejmech.2015.07.013 HEK-293T 1
30258542 10.1021/acsmedchemlett.8b00282 HEK-293T 1
17698622 10.1128/aac.00425-07 ADMET 1
28112515 10.1021/acs.jmedchem.6b01740 HEK-293T 1
28112515 10.1021/acs.jmedchem.6b01740 Trypanosoma brucei brucei 1
27218860 10.1016/j.ejmech.2016.05.004 NON-PROTEIN TARGET 1
26500720 10.1021/acsmedchemlett.5b00014 Protein disulfide-isomerase 1

Data from ChEMBL 36 via Core Engine