Molecule

130830-77-2

AlkaPlorer ID: AK041036

Synonym: '188345-76-8', '64927-38-4', '130830-78-3', '64769-66-0'

IUPAC Name: (2S,4R)-pyrrolidine-2,4-dicarboxylic acid

SMILES: O=C(O)[C@H]1CN[C@H](C(=O)O)C1

InChI: InChI=1S/C6H9NO4/c8-5(9)3-1-4(6(10)11)7-2-3/h3-4,7H,1-2H2,(H,8,9)(H,10,11)/t3-,4+/m1/s1

InChIKey: NRSBQSJHFYZIPH-DMTCNVIQSA-N

PubChem CID: 1515192

CAS: 64769-66-0

SuperNatural Ⅲ: SN0253467-04

Species	Genus	Family	Order	Class	Phylum	Kingdom	Domain

Molecule Weight: 159.141

TPSA？: 86.63000000000001

MolLogP？: -0.8662999999999998

Number of H-Donors: 3

Number of H-Acceptors: 3

RingCount: 1

Organism	Target Name	Standard Type	Standard Value	Standard Units	doi
Bacillus subtilis	4'-phosphopantetheinyl transferase ffp	Potency	281.8	nM	None
Homo sapiens	Arachidonate 15-lipoxygenase	Potency	12589.3	nM	None
Homo sapiens	Cytochrome P450 1A2	AC50	31622.78	nM	None
Homo sapiens	Cytochrome P450 2C19	AC50	nan	None	None
Homo sapiens	Cytochrome P450 2C19	Potency	39810.7	nM	None
Homo sapiens	Cytochrome P450 2C9	AC50	nan	None	None
Homo sapiens	Cytochrome P450 2D6	AC50	39810.72	nM	None
Homo sapiens	Cytochrome P450 2D6	Potency	39810.7	nM	None
Homo sapiens	Cytochrome P450 3A4	AC50	nan	None	None
Homo sapiens	Regulator of G-protein signaling 4	Potency	7519.3	nM	None
Rattus norvegicus	Glutamate NMDA receptor	Control	87.0	%	10.1021/jm00106a037
Rattus norvegicus	Glutamate [NMDA] receptor subunit epsilon 3	IC50	100000.0	nM	10.1016/S0960-894X(00)80099-2
Rattus norvegicus	Glutamate receptor ionotropic, AMPA	IC50	100000.0	nM	10.1016/S0960-894X(00)80099-2
Rattus norvegicus	Glutamate receptor ionotropic, AMPA 3	Control	109.0	%	10.1021/jm00106a037
Rattus norvegicus	Glutamate receptor ionotropic, kainate	IC50	100000.0	nM	10.1016/S0960-894X(00)80099-2
Rattus norvegicus	Glutamate receptor ionotropic kainate 2	Control	102.0	%	10.1021/jm00106a037
Rattus norvegicus	Rattus norvegicus	Control	45.0	%	10.1021/jm00106a037