Glutamine

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	60985575-3bf8-40af-bad1-35561691e5f5
Taxonomy	Organic acids and derivatives > Carboxylic acids and derivatives > Amino acids, peptides, and analogues > Alpha amino acids and derivatives > Alpha amino acids > L-alpha-amino acids
IUPAC Name	(2S)-2,5-diamino-5-oxopentanoic acid
SMILES (Canonical)	C(CC(=O)N)C(C(=O)O)N
SMILES (Isomeric)	C(CC(=O)N)[C@@H](C(=O)O)N
InChI	InChI=1S/C5H10N2O3/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H2,7,8)(H,9,10)/t3-/m0/s1
InChI Key	ZDXPYRJPNDTMRX-VKHMYHEASA-N
Popularity	89,220 references in papers

Physical and Chemical Properties

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Molecular Formula	C₅H₁₀N₂O₃
Molecular Weight	146.14 g/mol
Exact Mass	146.06914219 g/mol
Topological Polar Surface Area (TPSA)	106.00 Å²
XlogP	-3.10
Atomic LogP (AlogP)	-1.34
H-Bond Acceptor	3
H-Bond Donor	3
Rotatable Bonds	4

Synonyms

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glutamine

56-85-9

Levoglutamide

L-(+)-Glutamine

Glutamic acid amide

Cebrogen

Stimulina

(S)-2,5-Diamino-5-oxopentanoic acid

glumin

H-Gln-OH

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	+	0.6799	67.99%
Caco-2	-	0.9372	93.72%
Blood Brain Barrier	+	0.8500	85.00%
Human oral bioavailability	+	0.7857	78.57%
Subcellular localzation	Mitochondria	0.7313	73.13%
OATP2B1 inhibitior	-	0.8484	84.84%
OATP1B1 inhibitior	+	0.9754	97.54%
OATP1B3 inhibitior	+	0.9571	95.71%
MATE1 inhibitior	-	0.9600	96.00%
OCT2 inhibitior	-	1.0000	100.00%
BSEP inhibitior	-	0.9603	96.03%
P-glycoprotein inhibitior	-	0.9917	99.17%
P-glycoprotein substrate	-	0.9820	98.20%
CYP3A4 substrate	-	0.7795	77.95%
CYP2C9 substrate	-	0.8062	80.62%
CYP2D6 substrate	-	0.7879	78.79%
CYP3A4 inhibition	-	0.8936	89.36%
CYP2C9 inhibition	-	0.9741	97.41%
CYP2C19 inhibition	-	0.9761	97.61%
CYP2D6 inhibition	-	0.9600	96.00%
CYP1A2 inhibition	-	0.9583	95.83%
CYP2C8 inhibition	-	0.9952	99.52%
CYP inhibitory promiscuity	-	0.9932	99.32%
UGT catelyzed	-	0.0000	0.00%
Carcinogenicity (binary)	-	0.8300	83.00%
Carcinogenicity (trinary)	Non-required	0.6980	69.80%
Eye corrosion	-	0.9886	98.86%
Eye irritation	-	0.8291	82.91%
Skin irritation	-	0.8866	88.66%
Skin corrosion	-	0.6841	68.41%
Ames mutagenesis	-	0.7600	76.00%
Human Ether-a-go-go-Related Gene inhibition	-	0.8598	85.98%
Micronuclear	-	0.5200	52.00%
Hepatotoxicity	+	0.7750	77.50%
skin sensitisation	-	0.9622	96.22%
Respiratory toxicity	+	0.7556	75.56%
Reproductive toxicity	-	0.6333	63.33%
Mitochondrial toxicity	+	0.8125	81.25%
Nephrotoxicity	-	0.8449	84.49%
Acute Oral Toxicity (c)	IV	0.6418	64.18%
Estrogen receptor binding	-	0.9667	96.67%
Androgen receptor binding	-	0.8794	87.94%
Thyroid receptor binding	-	0.9095	90.95%
Glucocorticoid receptor binding	-	0.8360	83.60%
Aromatase binding	-	0.9095	90.95%
PPAR gamma	-	0.7963	79.63%
Honey bee toxicity	-	0.9649	96.49%
Biodegradation	+	0.9750	97.50%
Crustacea aquatic toxicity	-	0.9200	92.00%
Fish aquatic toxicity	-	0.9408	94.08%

Targets

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Proven Targets:

CHEMBL ID	UniProt ID	Name	Min activity	Assay type	Source
CHEMBL1293237	P54132	Bloom syndrome protein	2.8 nM	Potency	via Super-PRED

Predicted Targets (via Super-PRED):

CHEMBL ID	UniProt ID	Name	Probability	Model accuracy
CHEMBL4040	P28482	MAP kinase ERK2	98.46%	83.82%
CHEMBL3251	P19838	Nuclear factor NF-kappa-B p105 subunit	93.57%	96.09%
CHEMBL233	P35372	Mu opioid receptor	91.29%	97.93%
CHEMBL221	P23219	Cyclooxygenase-1	88.42%	90.17%
CHEMBL3060	Q9Y345	Glycine transporter 2	87.34%	99.17%
CHEMBL3976	Q9UHL4	Dipeptidyl peptidase II	86.36%	92.29%
CHEMBL4793	Q86TI2	Dipeptidyl peptidase IX	83.54%	96.95%
CHEMBL335	P18031	Protein-tyrosine phosphatase 1B	82.71%	95.17%
CHEMBL236	P41143	Delta opioid receptor	81.40%	99.35%
CHEMBL1795117	Q8TEK3	Histone-lysine N-methyltransferase, H3 lysine-79 specific	81.16%	93.56%
CHEMBL1907591	P30926	Neuronal acetylcholine receptor; alpha4/beta4	80.88%	100.00%

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.

Lotus corniculatus subsp. corniculatus

Opuntia ficus-indica

Passiflora incarnata