Navigation

name Structure Reference Source Properties Activities Metabolism

Parathion

AlkaPlorer ID: AK320873

Synonym: None

IUPAC Name: diethoxy-(4-nitrophenoxy)-sulfanylidene-lambda5-phosphane

Structure

SMILES: CCOP(=S)(OCC)OC1=CC=C([N+](=O)[O-])C=C1

copy

InChI: InChI=1S/C10H14NO5PS/c1-3-14-17(18,15-4-2)16-10-7-5-9(6-8-10)11(12)13/h5-8H,3-4H2,1-2H3

copy

InChIKey: LCCNCVORNKJIRZ-UHFFFAOYSA-N

copy

Properties Information

Molecule Weight: 291.265

TPSA？: 70.83

MolLogP？: 3.2711000000000023

Number of H-Donors: 0

Number of H-Acceptors: 6

RingCount: 1

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi
Homo sapiens Aldehyde dehydrogenase 1A1 Potency 15848.9 nM None
Homo sapiens Aldehyde dehydrogenase 1A1 Potency 22387.2 nM None
Homo sapiens Androgen Receptor Potency 1584.9 nM None
Homo sapiens Aryl hydrocarbon receptor Potency 39810.7 nM None
Homo sapiens Aryl hydrocarbon receptor Potency 56234.1 nM None
Homo sapiens Cytochrome P450 1A2 mechanism based inhibition nan None 10.2174/138920005774330639
Homo sapiens Cytochrome P450 2C9 mechanism based inhibition nan None 10.2174/138920005774330639
Homo sapiens Cytochrome P450 3A4 mechanism based inhibition nan None 10.2174/138920005774330639
Homo sapiens Cytochrome P450 3A4 Potency 5011.9 nM None
Homo sapiens Cytochrome P450 3A4 Potency 10000.0 nM None
Homo sapiens Endoplasmic reticulum-associated amyloid beta-peptide-binding protein Potency 19952.6 nM None
Homo sapiens Endoplasmic reticulum-associated amyloid beta-peptide-binding protein Potency 39810.7 nM None
Homo sapiens HERG Potency 35481.3 nM None
Homo sapiens HERG Potency 50118.7 nM None
Homo sapiens MAP kinase ERK2 Potency 2.0 nM None
Homo sapiens Peroxisome proliferator-activated receptor delta Potency 22387.2 nM None
Homo sapiens Peroxisome proliferator-activated receptor gamma Potency 14125.4 nM None
Homo sapiens P-glycoprotein 1 Inhibition 80.0 % 10.1006/taap.1996.0286
Homo sapiens Runt-related transcription factor 1/Core-binding factor subunit beta Potency 15848.9 nM None
Homo sapiens Thyroid hormone receptor beta-1 Potency 1122.0 nM None
Homo sapiens Thyroid stimulating hormone receptor Potency 1584.9 nM None
Homo sapiens Thyroid stimulating hormone receptor Potency 10000.0 nM None
Musca domestica Musca domestica LD50 1.3 mg.kg-1 10.1021/jm800191a
Mus musculus Monoamine oxidase A Activity nan None 10.1021/jm800656v
Pieris rapae Pieris rapae mortality 100.0 % 10.1248/cpb.50.399
Rattus norvegicus Nuclear receptor subfamily 1 group I member 2 Potency 17782.8 nM None
Rattus norvegicus Nuclear receptor subfamily 1 group I member 2 Potency 112201.8 nM None
Schizaphis graminum Schizaphis graminum LC50 0.2 ug.mL-1 10.1021/jf000548p
Schizaphis graminum Schizaphis graminum LC50 8.07 ug.mL-1 10.1021/jf000548p
Schizaphis graminum Schizaphis graminum LC50 64.76 ug.mL-1 10.1021/jf000548p
Schizaphis graminum Schizaphis graminum RatioLC50 40.8 None 10.1021/jf000548p
Schizaphis graminum Schizaphis graminum RatioLC50 326.9 None 10.1021/jf000548p
Spodoptera litura Spodoptera litura Drug recovery 89.8 % 10.1584/jpestics.26.165
Spodoptera litura Spodoptera litura Drug recovery 95.6 % 10.1584/jpestics.26.165
Spodoptera litura Spodoptera litura Drug uptake 10.9 % 10.1584/jpestics.26.165
Spodoptera litura Spodoptera litura Drug uptake 35.0 % 10.1584/jpestics.26.165
Spodoptera litura Spodoptera litura Drug uptake 56.8 % 10.1584/jpestics.26.165
Spodoptera litura Spodoptera litura Drug uptake 60.6 % 10.1584/jpestics.26.165
Spodoptera litura Spodoptera litura Drug uptake 78.9 % 10.1584/jpestics.26.165
None Molecular identity unknown Potency 11220.2 nM None
None Molecular identity unknown Potency 28183.8 nM None
None Molecular identity unknown Potency 56234.1 nM None
None No relevant target LogP 2.98 None 10.1021/jm00371a017
None No relevant target LogP 3.83 None 10.1584/jpestics.26.165
None Unchecked LogP 3.08 None 10.1021/acs.jmedchem.2c00658
None Unchecked Potency 4.0 nM None
None Unchecked Potency 74978.0 nM None

Metabolism Information

AKRT ID Reaction Reaction Link ID
AKRT009766 CCOP(=S)(OCC)Oc1ccc([N+](=O)[O-])cc1>>CCOP(O)(=S)OCC enzymemap_58154
AKRT009767 CCOP(=S)(OCC)Oc1ccc([N+](=O)[O-])cc1>>CCOP(O)(=S)OCC.O=[N+]([O-])c1ccc(O)cc1 None
AKRT009768 CCOP(=S)(OCC)Oc1ccc([N+](=O)[O-])cc1>>O=[N+]([O-])c1ccc(O)cc1 enzymemap_58154