Molecule

2-amino-3-(5-tert-butyl-3-hydroxy-1,2-oxazol-4-yl)propanoic acid

AlkaPlorer ID: AK489216

Synonym: None

IUPAC Name: (2S)-2-amino-3-(5-tert-butyl-3-oxo-1,2-oxazol-4-yl)propanoic acid

Structure

SMILES: CC(C)(C)C1=C(C[C@H](N)C(=O)O)C(O)=NO1

InChI: InChI=1S/C10H16N2O4/c1-10(2,3)7-5(8(13)12-16-7)4-6(11)9(14)15/h6H,4,11H2,1-3H3,(H,12,13)(H,14,15)/t6-/m0/s1

InChIKey: PIXJURSCCVBKRF-LURJTMIESA-N

Reference

Brain metabolomic profiling of eastern honey bee (Apis cerana) infested with the mite Varroa destructor

PubChem CID: 447407

LOTUS: LTS0058500

Source

Species	Genus	Family	Order	Class	Phylum	Kingdom	Domain
Trypanosoma brucei	Trypanosoma	Trypanosomatidae	Trypanosomatida	Kinetoplastea	Euglenozoa	None	Eukaryota

Properties Information

Molecule Weight: 228.248

TPSA？: 109.58

MolLogP？: 0.6320999999999997

Number of H-Donors: 3

Number of H-Acceptors: 5

RingCount: 1

Activities Information

Organism	Target Name	Standard Type	Standard Value	Standard Units	doi
Homo sapiens	Cytochrome P450 1A2	AC50	nan	None	None
Homo sapiens	Cytochrome P450 2C19	AC50	12589.25	nM	None
Homo sapiens	Cytochrome P450 2C19	AC50	nan	None	None
Homo sapiens	Cytochrome P450 2C19	Potency	12589.3	nM	None
Homo sapiens	Cytochrome P450 2C9	AC50	31622.78	nM	None
Homo sapiens	Cytochrome P450 2C9	AC50	nan	None	None
Homo sapiens	Cytochrome P450 2C9	Potency	31622.8	nM	None
Homo sapiens	Cytochrome P450 2D6	AC50	1584.89	nM	None
Homo sapiens	Cytochrome P450 2D6	AC50	nan	None	None
Homo sapiens	Cytochrome P450 2D6	Potency	1584.9	nM	None
Homo sapiens	Cytochrome P450 2D6	Potency	25118.9	nM	None
Homo sapiens	Cytochrome P450 3A4	AC50	nan	None	None
Homo sapiens	Glutamate receptor ionotropic, AMPA 1	EC50	22000.0	nM	10.1021/jm0204441
Homo sapiens	Glutamate receptor ionotropic, AMPA 3	EC50	7900.0	nM	10.1021/jm0204441
Homo sapiens	Glutamate receptor ionotropic, AMPA 4	EC50	7600.0	nM	10.1021/jm0204441
Homo sapiens	Glutamate receptor ionotropic kainate 5	EC50	480.0	nM	10.1021/jm0204441
Homo sapiens	Lysine-specific demethylase 4D-like	Potency	39810.7	nM	None
Homo sapiens	MAP kinase ERK2	Potency	794.3	nM	None
Homo sapiens	Menin/Histone-lysine N-methyltransferase MLL	Potency	39810.7	nM	None
Rattus norvegicus	Glutamate NMDA receptor	Ki	100000.0	nM	10.1021/jm900565c
Rattus norvegicus	Glutamate NMDA receptor; Grin1/Grin2a	EC50	nan	None	10.1021/jm900565c
Rattus norvegicus	Glutamate receptor ionotropic, AMPA	IC50	1800.0	nM	10.1021/jm0204441
Rattus norvegicus	Glutamate receptor ionotropic, AMPA 1	Activity	101.0	%	10.1021/jm900565c
Rattus norvegicus	Glutamate receptor ionotropic, AMPA 1	EC50	62000.0	nM	10.1021/jm900565c
Rattus norvegicus	Glutamate receptor ionotropic, AMPA 1	EC50	730000.0	nM	10.1021/jm900565c
Rattus norvegicus	Glutamate receptor ionotropic, AMPA 1	Ki	2780.0	nM	10.1021/jm900565c
Rattus norvegicus	Glutamate receptor ionotropic, AMPA 1	pKi	3.526	nM	10.1021/jm900565c
Rattus norvegicus	Glutamate receptor ionotropic, AMPA 2	EC50	1000000.0	nM	10.1021/jm900565c
Rattus norvegicus	Glutamate receptor ionotropic, AMPA 2	Ki	1660.0	nM	10.1021/jm900565c
Rattus norvegicus	Glutamate receptor ionotropic, AMPA 2	pKi	3.213	nM	10.1021/jm900565c
Rattus norvegicus	Glutamate receptor ionotropic, AMPA 3	Activity	100.0	uM	10.1021/jm900565c
Rattus norvegicus	Glutamate receptor ionotropic, AMPA 3	EC50	630000.0	nM	10.1021/jm900565c
Rattus norvegicus	Glutamate receptor ionotropic, AMPA 3	Ki	2040.0	nM	10.1021/jm900565c
Rattus norvegicus	Glutamate receptor ionotropic, AMPA 3	pKi	3.309	nM	10.1021/jm900565c
Rattus norvegicus	Glutamate receptor ionotropic, AMPA 4	Activity	102.0	uM	10.1021/jm900565c
Rattus norvegicus	Glutamate receptor ionotropic, AMPA 4	EC50	150.0	%	10.1021/jm900565c
Rattus norvegicus	Glutamate receptor ionotropic, AMPA 4	Ki	2140.0	nM	10.1021/jm900565c
Rattus norvegicus	Glutamate receptor ionotropic, AMPA 4	pKi	3.322	nM	10.1021/jm900565c
Rattus norvegicus	Glutamate receptor ionotropic, kainate	IC50	23000.0	nM	10.1021/jm0204441
Rattus norvegicus	Glutamate receptor ionotropic kainate 1	Activity	114.0	uM	10.1021/jm900565c
Rattus norvegicus	Glutamate receptor ionotropic kainate 1	EC50	1.8	%	10.1021/jm900565c
Rattus norvegicus	Glutamate receptor ionotropic kainate 1	EC50	660.0	nM	10.1021/jm900565c
Rattus norvegicus	Glutamate receptor ionotropic kainate 1	Ki	2.13	nM	10.1021/jm900565c
Rattus norvegicus	Glutamate receptor ionotropic kainate 1	pKi	0.325	nM	10.1021/jm900565c
Rattus norvegicus	Glutamate receptor ionotropic kainate 2	EC50	1000.0	%	10.1021/jm900565c
Rattus norvegicus	Glutamate receptor ionotropic kainate 2	Ki	1000000.0	nM	10.1021/jm900565c
Rattus norvegicus	Glutamate receptor ionotropic kainate 3	Ki	2530.0	nM	10.1021/jm900565c
Rattus norvegicus	Glutamate receptor ionotropic kainate 3	pKi	3.399	nM	10.1021/jm900565c
Xenopus laevis	Glutamate receptor ionotropic kainate 2	EC50	61000.0	nM	10.1021/jm0204441
Xenopus laevis	Glutamate receptor ionotropic kainate 2	EC50	nan	nM	10.1021/jm0204441
None	Unchecked	IC50	1800.0	nM	10.1021/jm900565c
None	Unchecked	IC50	23000.0	nM	10.1021/jm900565c
None	Unchecked	IC50	100000.0	nM	10.1021/jm0204441