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SODIUM ARSENITE
ID: ALA1909078
Max Phase: Preclinical
Molecular Formula: AsNaO2
Molecular Weight: 107.93
Molecule Type: Small molecule
Associated Items:
Representations
Synonyms (1): Sodium Arsenite
Synonyms from Alternative Forms(1):
Canonical SMILES: O=[As][O-].[Na+]
Standard InChI: InChI=1S/AsHO2.Na/c2-1-3;/h(H,2,3);/q;+1/p-1
Standard InChI Key: PTLRDCMBXHILCL-UHFFFAOYSA-M
Associated Targets(Human)
Cannabinoid CB1 receptor 20913 Activities
Carbonic anhydrase II 17698 Activities
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C-C chemokine receptor type 2 5628 Activities
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C-C chemokine receptor type 4 2819 Activities
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C-C chemokine receptor type 5 5640 Activities
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Interleukin-8 receptor A 2256 Activities
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Interleukin-8 receptor B 3491 Activities
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Cholecystokinin A receptor 4460 Activities
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Cyclooxygenase-1 9233 Activities
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Cyclooxygenase-2 13999 Activities
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Cytochrome P450 1A2 26471 Activities
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Cytochrome P450 2A6 2861 Activities
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Cytochrome P450 2C19 29246 Activities
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Cytochrome P450 2C9 32119 Activities
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Cytochrome P450 2D6 33882 Activities
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Cytochrome P450 2E1 2174 Activities
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Cytochrome P450 3A4 53859 Activities
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Dopamine D1 receptor 9720 Activities
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Dopamine D2 receptor 23596 Activities
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Dopamine D3 receptor 14368 Activities
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Dopamine D4 receptor 7907 Activities
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Dopamine transporter 10535 Activities
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Endothelin receptor ET-A 5008 Activities
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Estrogen receptor alpha 17718 Activities
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Estrogen receptor beta 9272 Activities
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Glucocorticoid receptor 14987 Activities
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Histamine H1 receptor 7573 Activities
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Histamine H2 receptor 5428 Activities
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HMG-CoA reductase 2475 Activities
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|---|
Cysteinyl leukotriene receptor 1 2118 Activities
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|---|
Melanocortin receptor 3 5659 Activities
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|---|
Melanocortin receptor 4 10016 Activities
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|---|
Melanocortin receptor 5 4283 Activities
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|---|
Monoamine oxidase A 11911 Activities
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
Muscarinic acetylcholine receptor M1 12690 Activities
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|---|
Muscarinic acetylcholine receptor M2 10671 Activities
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Muscarinic acetylcholine receptor M3 7750 Activities
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Muscarinic acetylcholine receptor M4 6041 Activities
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|---|
Muscarinic acetylcholine receptor M5 4677 Activities
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|---|
Neuropeptide Y receptor type 1 5019 Activities
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|---|
Neuropeptide Y receptor type 2 3731 Activities
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
Delta opioid receptor 15096 Activities
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
Kappa opioid receptor 16155 Activities
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|---|
Mu opioid receptor 19785 Activities
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|---|
Phosphodiesterase 5A 5113 Activities
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|---|
Platelet activating factor receptor 2575 Activities
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|---|
HERG 29587 Activities
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|---|
Caspase-1 6235 Activities
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|---|
Cathepsin G 2304 Activities
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
Leukocyte elastase 8173 Activities
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|---|
Matrix metalloproteinase-1 7046 Activities
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Matrix metalloproteinase 9 6779 Activities
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Protein kinase C alpha 5923 Activities
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MAP kinase ERK1 4725 Activities
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MAP kinase ERK2 25055 Activities
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MAP kinase p38 alpha 12866 Activities
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Serine/threonine protein phosphatase 2B catalytic subunit, alpha isoform 1831 Activities
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|---|
Epidermal growth factor receptor erbB1 33727 Activities
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|---|
Tyrosine-protein kinase FYN 5308 Activities
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Receptor protein-tyrosine kinase erbB-2 7851 Activities
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Tyrosine-protein kinase LCK 9212 Activities
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Leukocyte common antigen 2317 Activities
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|---|
Serotonin 2a (5-HT2a) receptor 14758 Activities
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|---|
Serotonin 2b (5-HT2b) receptor 10323 Activities
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|---|
Serotonin 2c (5-HT2c) receptor 11471 Activities
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|---|
Serotonin 6 (5-HT6) receptor 9749 Activities
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|---|
Serotonin transporter 12625 Activities
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|---|
Sigma opioid receptor 6358 Activities
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|---|
Neurokinin 1 receptor 6273 Activities
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|---|
Neurokinin 2 receptor 3341 Activities
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|---|
Thromboxane-A synthase 3355 Activities
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|---|
Vascular endothelial growth factor receptor 1 6262 Activities
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|---|
Vasoactive intestinal polypeptide receptor 1 1904 Activities
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|---|
Vasopressin V1a receptor 5412 Activities
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|---|
Acetylcholinesterase 18204 Activities
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|---|
Adenosine A1 receptor 17603 Activities
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|---|
Adenosine A2a receptor 16305 Activities
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|---|
Adenosine A3 receptor 15931 Activities
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|---|
Alpha-1d adrenergic receptor 4171 Activities
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Alpha-2a adrenergic receptor 9450 Activities
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Alpha-2b adrenergic receptor 4412 Activities
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Alpha-2c adrenergic receptor 4876 Activities
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Beta-1 adrenergic receptor 6630 Activities
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Beta-2 adrenergic receptor 11824 Activities
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Beta-3 adrenergic receptor 5850 Activities
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Norepinephrine transporter 10102 Activities
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Angiotensin II type 2 (AT-2) receptor 2549 Activities
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Bradykinin B2 receptor 3970 Activities
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Calcitonin receptor 2215 Activities
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Associated Targets(non-human)
Glycine receptor 1745 Activities
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Insulin receptor 1750 Activities
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Leukotriene C4 synthase 1746 Activities
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Arachidonate 15-lipoxygenase 2064 Activities
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Nitric-oxide synthase, brain 2987 Activities
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Nitric oxide synthase, inducible 3573 Activities
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Progesterone receptor 1742 Activities
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Angiotensin-converting enzyme 2863 Activities
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Serotonin 1a (5-HT1a) receptor 8655 Activities
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|---|
Serotonin 1b (5-HT1b) receptor 2343 Activities
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Serotonin 4 (5-HT4) receptor 2870 Activities
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Androgen Receptor 5522 Activities
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Alpha-1a adrenergic receptor 3346 Activities
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Alpha-1b adrenergic receptor 2470 Activities
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Aldose reductase 4007 Activities
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Rattus norvegicus 775804 Activities
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Molecule Features
| Natural Product: No | Oral: No | Chemical Probe: No | Parenteral: No |
| Molecule Type: Small molecule | Topical: No | First In Class: No | Black Box: No |
| Chirality: No | Availability: No | Prodrug: No |
Drug Indications
| MESH ID | MESH Heading | EFO IDs | EFO Terms | Max Phase for Indication | References |
|---|
Mechanisms of Action
| Mechanism of Action | Action Type | target ID | Target Name | Target Type | Target Organism | Binding Site Name | References |
|---|
Properties
| Molecular Weight: 107.93 | Molecular Weight (Monoisotopic): 107.9193 | AlogP: | #Rotatable Bonds: |
| Polar Surface Area: | Molecular Species: | HBA: | HBD: |
| #RO5 Violations: | HBA (Lipinski): | HBD (Lipinski): | #RO5 Violations (Lipinski): |
| CX Acidic pKa: | CX Basic pKa: | CX LogP: | CX LogD: |
| Aromatic Rings: | Heavy Atoms: | QED Weighted: | Np Likeness Score: |
References
| 1. Scott S. Auerbach, DrugMatrix¨ and ToxFX¨ Coordinator National Toxicology Program. DrugMatrix in vitro pharmacology data, |
| 2. DrugMatrix, [10.6019/CHEMBL3885881] |
Source
Source(1):