Molecule

4-[(2-Methoxyphenyl)amino]-4-oxobutanoic acid

AlkaPlorer ID: AK492999

Synonym: None

IUPAC Name: 4-(2-methoxyanilino)-4-oxobutanoic acid

Structure

SMILES: COC1=CC=CC=C1NC(=O)CCC(=O)O

InChI: InChI=1S/C11H13NO4/c1-16-9-5-3-2-4-8(9)12-10(13)6-7-11(14)15/h2-5H,6-7H2,1H3,(H,12,13)(H,14,15)

InChIKey: PRKZZDBCWQJVMT-UHFFFAOYSA-N

Reference

A community-driven global reconstruction of human metabolism

PubChem CID: 693069

Source

Species	Genus	Family	Order	Class	Phylum	Kingdom	Domain

Properties Information

Molecule Weight: 223.22799999999995

TPSA？: 75.63

MolLogP？: 1.4985

Number of H-Donors: 2

Number of H-Acceptors: 3

RingCount: 1

Activities Information

Organism	Target Name	Standard Type	Standard Value	Standard Units	doi
Agrobacterium tumefaciens	Agrobacterium tumefaciens	Activity	5.63	%	10.1016/j.ejmech.2014.07.028
Agrobacterium tumefaciens	Agrobacterium tumefaciens	Activity	31.14	%	10.1016/j.ejmech.2014.07.028
Agrobacterium tumefaciens	Agrobacterium tumefaciens	Activity	62.64	%	10.1016/j.ejmech.2014.07.028
Agrobacterium tumefaciens	Agrobacterium tumefaciens	IC50	410.37	ug.mL-1	10.1016/j.ejmech.2014.07.028
Artemia salina	Artemia salina	LD50	192.2	ug ml-1	10.1016/j.ejmech.2014.07.028
Aspergillus flavus	Aspergillus flavus	IZ	0.0	mm	10.1016/j.ejmech.2014.07.028
Aspergillus fumigatus	Aspergillus fumigatus	IZ	0.0	mm	10.1016/j.ejmech.2014.07.028
Aspergillus niger	Aspergillus niger	IZ	0.0	mm	10.1016/j.ejmech.2014.07.028
Bacillus anthracis	Anthrax lethal factor	Potency	25118.9	nM	None
Bacillus spizizenii	Bacillus spizizenii	IZ	10.0	mm	10.1016/j.ejmech.2014.07.028
Bacillus spizizenii	Bacillus spizizenii	MIC	200.0	ug.mL-1	10.1016/j.ejmech.2014.07.028
Bordetella bronchiseptica	Bordetella bronchiseptica	IZ	9.0	mm	10.1016/j.ejmech.2014.07.028
Bordetella bronchiseptica	Bordetella bronchiseptica	MIC	200.0	ug.mL-1	10.1016/j.ejmech.2014.07.028
Escherichia coli	Escherichia coli	IZ	16.0	mm	10.1016/j.ejmech.2014.07.028
Escherichia coli	Escherichia coli	MIC	100.0	ug.mL-1	10.1016/j.ejmech.2014.07.028
Homo sapiens	Guanine nucleotide-binding protein G(s), subunit alpha	Potency	31622.8	nM	None
Klebsiella aerogenes	Klebsiella aerogenes	IZ	0.0	mm	10.1016/j.ejmech.2014.07.028
Leishmania major	Leishmania major	IC50	0.00342	ug.mL-1	10.1016/j.ejmech.2014.07.028
Mucor	Mucor	IZ	0.0	mm	10.1016/j.ejmech.2014.07.028
Salmonella enterica subsp. enterica serovar Typhimurium	Salmonella typhimurium	IZ	8.0	mm	10.1016/j.ejmech.2014.07.028
Salmonella enterica subsp. enterica serovar Typhimurium	Salmonella typhimurium	MIC	200.0	ug.mL-1	10.1016/j.ejmech.2014.07.028
Staphylococcus aureus	Staphylococcus aureus	IZ	11.0	mm	10.1016/j.ejmech.2014.07.028
Staphylococcus aureus	Staphylococcus aureus	MIC	100.0	ug.mL-1	10.1016/j.ejmech.2014.07.028
None	Unchecked	Activity	nan	None	10.1016/j.ejmech.2014.07.028
None	Unchecked	K	8.26	10'3/M	10.1016/j.ejmech.2014.07.028
None	Unchecked	Potency	5173.5	nM	None