Navigation

name Structure Reference Source Properties Activities Metabolism

phosalone

AlkaPlorer ID: AK020231

Synonym: None

IUPAC Name: 6-chloro-3-(diethoxyphosphinothioylsulfanylmethyl)-1,3-benzoxazol-2-one

Structure

SMILES: CCOP(=S)(OCC)SCN1C(=O)OC2=CC(Cl)=CC=C21

copy

InChI: InChI=1S/C12H15ClNO4PS2/c1-3-16-19(20,17-4-2)21-8-14-10-6-5-9(13)7-11(10)18-12(14)15/h5-7H,3-4,8H2,1-2H3

copy

InChIKey: IOUNQDKNJZEDEP-UHFFFAOYSA-N

copy

Source

Species Genus Family Order Class Phylum Kingdom Domain
Sorangium cellulosum Sorangium Polyangiaceae Polyangiales None Myxococcota None Bacteria

Properties Information

Molecule Weight: 367.8160000000001

TPSA？: 53.6

MolLogP？: 4.236100000000003

Number of H-Donors: 0

Number of H-Acceptors: 7

RingCount: 2

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi
Bacillus subtilis 4'-phosphopantetheinyl transferase ffp Potency 56234.1 nM None
Homo sapiens 15-hydroxyprostaglandin dehydrogenase [NAD+] Potency 35481.3 nM None
Homo sapiens Androgen Receptor Potency 44668.4 nM None
Homo sapiens Arachidonate 15-lipoxygenase, type II Potency 19952.6 nM None
Homo sapiens Aryl hydrocarbon receptor Potency 50118.7 nM None
Homo sapiens Cytochrome P450 3A4 Potency 794.3 nM None
Homo sapiens Endoplasmic reticulum-associated amyloid beta-peptide-binding protein Potency 25118.9 nM None
Homo sapiens Estrogen receptor alpha Potency 39810.7 nM None
Homo sapiens Histone acetyltransferase GCN5 Potency 39810.7 nM None
Homo sapiens Nuclear factor erythroid 2-related factor 2 Potency 27306.0 nM None
Homo sapiens Nuclear factor erythroid 2-related factor 2 Potency 34376.2 nM None
Homo sapiens Prelamin-A/C Potency 22387.2 nM None
Homo sapiens Retinoid X receptor alpha Potency 35481.3 nM None
Homo sapiens Solute carrier organic anion transporter family member 1B1 Inhibition 116.17 % 10.1124/mol.112.084152
Homo sapiens Solute carrier organic anion transporter family member 1B3 Inhibition 123.98 % 10.1124/mol.112.084152
Homo sapiens Tyrosyl-DNA phosphodiesterase 1 Potency 1835.6 nM None
Homo sapiens Tyrosyl-DNA phosphodiesterase 1 Potency 20596.2 nM None
Homo sapiens Tyrosyl-DNA phosphodiesterase 1 Potency 28183.8 nM None
Homo sapiens Ubiquitin carboxyl-terminal hydrolase 1 Potency 79432.8 nM None
Homo sapiens Vitamin D receptor Potency 35481.3 nM None
Rattus norvegicus Nuclear receptor subfamily 1 group I member 2 Potency 11220.2 nM None
None Molecular identity unknown Potency 10000.0 nM None
None Unchecked Potency 1258.9 nM None
None Unchecked Potency 15848.9 nM None

Metabolism Information