Glutamic Acid

Details

Physical and Chemical Properties

Synonyms

2D Structure

3D Structure

ADMET Properties

Targets (proven and/or predicted)

Plants that contains it

Cross-Links

Details

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Internal ID	1dbd7cef-c740-4023-8e93-fa26c57ec78c
Taxonomy	Organic acids and derivatives > Carboxylic acids and derivatives > Amino acids, peptides, and analogues > Alpha amino acids and derivatives > Glutamic acid and derivatives
IUPAC Name	(2S)-2-aminopentanedioic acid
SMILES (Canonical)	C(CC(=O)O)C(C(=O)O)N
SMILES (Isomeric)	C(CC(=O)O)[C@@H](C(=O)O)N
InChI	InChI=1S/C5H9NO4/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H,7,8)(H,9,10)/t3-/m0/s1
InChI Key	WHUUTDBJXJRKMK-VKHMYHEASA-N
Popularity	101,918 references in papers

Physical and Chemical Properties

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Molecular Formula	C₅H₉NO₄
Molecular Weight	147.13 g/mol
Exact Mass	147.05315777 g/mol
Topological Polar Surface Area (TPSA)	101.00 Å²
XlogP	-3.70
Atomic LogP (AlogP)	-0.74
H-Bond Acceptor	3
H-Bond Donor	3
Rotatable Bonds	4

Synonyms

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GLUTAMIC ACID

56-86-0

(2S)-2-Aminopentanedioic acid

L-glutamate

(S)-2-Aminopentanedioic acid

Glutamidex

Glutaminol

H-Glu-OH

glutacid

Aciglut

There are more than 10 synonyms. If you wish to see them all click here.

2D Structure

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3D Structure

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ADMET Properties (via admetSAR 2)

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Target	Value	Probability (raw)	Probability (%)
Human Intestinal Absorption	+	0.6846	68.46%
Caco-2	-	0.9559	95.59%
Blood Brain Barrier	+	0.6750	67.50%
Human oral bioavailability	+	0.7286	72.86%
Subcellular localzation	Mitochondria	0.4836	48.36%
OATP2B1 inhibitior	-	0.8408	84.08%
OATP1B1 inhibitior	+	0.9744	97.44%
OATP1B3 inhibitior	+	0.9521	95.21%
MATE1 inhibitior	-	1.0000	100.00%
OCT2 inhibitior	-	0.9250	92.50%
BSEP inhibitior	-	0.9798	97.98%
P-glycoprotein inhibitior	-	0.9922	99.22%
P-glycoprotein substrate	-	0.9907	99.07%
CYP3A4 substrate	-	0.7951	79.51%
CYP2C9 substrate	+	0.5892	58.92%
CYP2D6 substrate	-	0.7657	76.57%
CYP3A4 inhibition	-	0.9306	93.06%
CYP2C9 inhibition	-	0.9724	97.24%
CYP2C19 inhibition	-	0.9729	97.29%
CYP2D6 inhibition	-	0.9583	95.83%
CYP1A2 inhibition	-	0.9045	90.45%
CYP2C8 inhibition	-	0.9956	99.56%
CYP inhibitory promiscuity	-	0.9966	99.66%
UGT catelyzed	-	0.0000	0.00%
Carcinogenicity (binary)	-	0.8400	84.00%
Carcinogenicity (trinary)	Non-required	0.7171	71.71%
Eye corrosion	-	0.9886	98.86%
Eye irritation	-	0.6519	65.19%
Skin irritation	-	0.8847	88.47%
Skin corrosion	+	0.9671	96.71%
Ames mutagenesis	-	1.0000	100.00%
Human Ether-a-go-go-Related Gene inhibition	-	0.8297	82.97%
Micronuclear	-	0.5800	58.00%
Hepatotoxicity	+	0.6074	60.74%
skin sensitisation	-	0.9616	96.16%
Respiratory toxicity	+	0.6778	67.78%
Reproductive toxicity	-	0.7556	75.56%
Mitochondrial toxicity	+	0.5375	53.75%
Nephrotoxicity	-	0.8715	87.15%
Acute Oral Toxicity (c)	IV	0.6349	63.49%
Estrogen receptor binding	-	0.9521	95.21%
Androgen receptor binding	-	0.8831	88.31%
Thyroid receptor binding	-	0.9090	90.90%
Glucocorticoid receptor binding	-	0.7400	74.00%
Aromatase binding	-	0.9217	92.17%
PPAR gamma	-	0.8830	88.30%
Honey bee toxicity	-	0.9718	97.18%
Biodegradation	+	0.9500	95.00%
Crustacea aquatic toxicity	-	0.9200	92.00%
Fish aquatic toxicity	-	0.9140	91.40%

Targets

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Proven Targets:

CHEMBL ID	UniProt ID	Name	Min activity	Assay type	Source
CHEMBL2675	Q16478	Glutamate receptor ionotropic kainate 5	701 nM	Ki	via Super-PRED
CHEMBL3190	P48058	Glutamate receptor ionotropic, AMPA 4	868 nM	Ki	via Super-PRED
CHEMBL3772	Q13255	Metabotropic glutamate receptor 1	250 nM	Ki	via Super-PRED
CHEMBL2888	Q14832	Metabotropic glutamate receptor 3	57.54 nM	Ki	via Super-PRED
CHEMBL3227	P41594	Metabotropic glutamate receptor 5	390 nM	Ki	via Super-PRED
CHEMBL3228	O00222	Metabotropic glutamate receptor 8	5.7 nM	IC50	via Super-PRED
CHEMBL1075189	P14618	Pyruvate kinase isozymes M1/M2	5 nM	Potency	via Super-PRED

Predicted Targets (via Super-PRED):

CHEMBL ID	UniProt ID	Name	Probability	Model accuracy
CHEMBL4040	P28482	MAP kinase ERK2	98.26%	83.82%
CHEMBL3251	P19838	Nuclear factor NF-kappa-B p105 subunit	94.59%	96.09%
CHEMBL221	P23219	Cyclooxygenase-1	90.93%	90.17%
CHEMBL3060	Q9Y345	Glycine transporter 2	90.14%	99.17%
CHEMBL236	P41143	Delta opioid receptor	88.53%	99.35%
CHEMBL3976	Q9UHL4	Dipeptidyl peptidase II	85.75%	92.29%
CHEMBL1255126	O15151	Protein Mdm4	85.75%	90.20%
CHEMBL2581	P07339	Cathepsin D	84.27%	98.95%
CHEMBL4793	Q86TI2	Dipeptidyl peptidase IX	81.54%	96.95%
CHEMBL1907591	P30926	Neuronal acetylcholine receptor; alpha4/beta4	80.98%	100.00%
CHEMBL5285	Q99683	Mitogen-activated protein kinase kinase kinase 5	80.88%	92.26%

Plants that contains it

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Below are displayed all the plants proven (via scientific papers) to contain this compound!
To see more specific details click the taxa you are interested in.

Calendula officinalis

Cannabis sativa

Castanea sativa

Catha edulis