Phospho-L-tyrosine

Details

• Internal ID: 3fa9f750-73bc-4b3b-a08b-de82ed36d126
• Taxonomy: Organic acids and derivatives > Carboxylic acids and derivatives > Amino acids, peptides, and analogues > Alpha amino acids and derivatives > Phenylalanine and derivatives
• IUPAC Name: (2S)-2-amino-3-(4-phosphonooxyphenyl)propanoic acid
• InChI: InChI=1S/C9H12NO6P/c10-8(9(11)12)5-6-1-3-7(4-2-6)16-17(13,14)15/h1-4,8H,5,10H2,(H,11,12)(H2,13,14,15)/t8-/m0/s1
• InChI Key: DCWXELXMIBXGTH-QMMMGPOBSA-N
• Popularity: 13,571 references in papers

Physical and Chemical Properties

• Molecular Formula: C₉H₁₂NO₆P
• Molecular Weight: 261.17 g/mol
• Exact Mass: 261.04022410 g/mol
• Topological Polar Surface Area (TPSA): 130.00 Ų
• XlogP: -2.80
• Atomic LogP (AlogP): 0.11
• H-Bond Acceptor: 4
• H-Bond Donor: 4
• Rotatable Bonds: 5

Synonyms

• 21820-51-9
• Phosphonotyrosine
• PHOSPHOTYROSINE
• O-Phosphotyrosine
• Tyrosine O-phosphate
• H-Tyr(H2PO3)-OH
• L-Tyrosine-O-phosphate
• L-Phosphotyrosine
• Phospho-L-tyrosine
• Phosphotyrosine (pY)
• O-phosphono-L-tyrosine
• L-tyrosine, O-phosphono-
• (2S)-2-amino-3-(4-phosphonooxyphenyl)propanoic acid
• 2R86C98KDX
• L-3-(4-Hydroxyphenyl)alanine 4'-phosphate
• CHEBI:37788
• (2S)-2-amino-3-[4-(phosphonooxy)phenyl]propanoic acid
• L-Tyrosine, dihydrogen phosphate (ester)
• H-Tyr(PO3H2)-OH
• pTyr
• tyrosine phosphate
• MFCD00002603
• H-Tyr(PO)-OH
• O(4)-phospho-L-tyrosine
• SCHEMBL1152
• O(4)-phosphono-L-tyrosine
• Tyrosine, phosphate (6CI)
• UNII-2R86C98KDX
• CHEMBL286939
• BDBM22597
• DTXSID00176234
• DCWXELXMIBXGTH-QMMMGPOBSA-N
• Tyrosine, di-H phosphate (7CI)
• L-TYROSINE-O-PHOSPHORIC ACID
• AKOS015856720
• AKOS015894042
• CS-W012494
• DB01962
• HY-W011778
• AS-19190
• J208.898C
• H-Tyr(H2PO3)-OH; L-Tyrosine-O-phosphate
• P0959
• O-Phospho-L-tyrosine (H-L-Tyr(PO3H2)-OH)
• C06501
• EN300-7366217
• L-Tyrosine, dihydrogen phosphate (ester) (9CI)
• J-014304
• TYROSINE, DIHYDROGEN PHOSPHATE (ESTER), L-
• Tyrosine, dihydrogen phosphate (ester), L- (8CI)
• Q19805940
• (S)-2-amino-3-(4-(phosphonooxy)phenyl)propanoic acid
• (S)-2-Amino-3-(4-phosphonooxy-phenyl)-propionic-acid
• PHOSPHORIC ACID 4-((S)-2-CARBOXY-2-AMINOETHYL)PHENYL ESTER

2D Structure

ADMET Properties (via admetSAR 2)

Target	Value	Probability (raw)	Probability (%)
Human Intestinal Absorption	+	0.7687	76.87%
Caco-2	+	0.6022	60.22%
Blood Brain Barrier	+	0.5250	52.50%
Human oral bioavailability	-	0.6000	60.00%
Subcellular localzation	Mitochondria	0.6463	64.63%
OATP2B1 inhibitior	-	1.0000	100.00%
OATP1B1 inhibitior	+	0.9632	96.32%
OATP1B3 inhibitior	+	0.9448	94.48%
MATE1 inhibitior	-	1.0000	100.00%
OCT2 inhibitior	-	0.9500	95.00%
BSEP inhibitior	-	0.8658	86.58%
P-glycoprotein inhibitior	-	0.9725	97.25%
P-glycoprotein substrate	-	0.9509	95.09%
CYP3A4 substrate	-	0.6343	63.43%
CYP2C9 substrate	-	0.6048	60.48%
CYP2D6 substrate	-	0.7575	75.75%
CYP3A4 inhibition	-	0.9012	90.12%
CYP2C9 inhibition	-	0.9344	93.44%
CYP2C19 inhibition	-	0.8443	84.43%
CYP2D6 inhibition	-	0.9300	93.00%
CYP1A2 inhibition	-	0.6949	69.49%
CYP2C8 inhibition	-	0.8052	80.52%
CYP inhibitory promiscuity	-	0.9878	98.78%
UGT catelyzed	-	0.0000	0.00%
Carcinogenicity (binary)	-	0.6625	66.25%
Carcinogenicity (trinary)	Non-required	0.6085	60.85%
Eye corrosion	-	0.9403	94.03%
Eye irritation	-	0.8945	89.45%
Skin irritation	-	0.7628	76.28%
Skin corrosion	-	0.8905	89.05%
Ames mutagenesis	-	0.7100	71.00%
Human Ether-a-go-go-Related Gene inhibition	-	0.8950	89.50%
Micronuclear	+	0.7800	78.00%
Hepatotoxicity	+	0.5443	54.43%
skin sensitisation	-	0.8123	81.23%
Respiratory toxicity	+	0.6889	68.89%
Reproductive toxicity	+	0.7222	72.22%
Mitochondrial toxicity	+	0.6875	68.75%
Nephrotoxicity	-	0.6893	68.93%
Acute Oral Toxicity (c)	III	0.6105	61.05%
Estrogen receptor binding	-	0.7996	79.96%
Androgen receptor binding	+	0.5901	59.01%
Thyroid receptor binding	-	0.7271	72.71%
Glucocorticoid receptor binding	-	0.6904	69.04%
Aromatase binding	-	0.6057	60.57%
PPAR gamma	+	0.5589	55.89%
Honey bee toxicity	-	0.7158	71.58%
Biodegradation	-	0.6250	62.50%
Crustacea aquatic toxicity	-	0.6250	62.50%
Fish aquatic toxicity	+	0.7998	79.98%

Targets

Proven Targets:

No proven targets yet!

Predicted Targets (via Super-PRED):

CHEMBL ID	UniProt ID	Name	Probability	Model accuracy
CHEMBL3251	P19838	Nuclear factor NF-kappa-B p105 subunit	96.34%	96.09%
CHEMBL3060	Q9Y345	Glycine transporter 2	91.97%	99.17%
CHEMBL2288	Q13526	Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1	91.67%	91.71%
CHEMBL4203	Q9HAZ1	Dual specificity protein kinase CLK4	90.60%	94.45%
CHEMBL2581	P07339	Cathepsin D	89.55%	98.95%
CHEMBL3492	P49721	Proteasome Macropain subunit	89.25%	90.24%
CHEMBL3230	O95977	Sphingosine 1-phosphate receptor Edg-6	88.91%	94.01%
CHEMBL3892	Q99500	Sphingosine 1-phosphate receptor Edg-3	88.86%	97.29%
CHEMBL3286	P00749	Urokinase-type plasminogen activator	87.60%	97.88%
CHEMBL3663	P62993	Growth factor receptor-bound protein 2	87.55%	90.00%
CHEMBL1255126	O15151	Protein Mdm4	86.79%	90.20%
CHEMBL3108638	O15164	Transcription intermediary factor 1-alpha	86.11%	95.56%
CHEMBL5619	P27695	DNA-(apurinic or apyrimidinic site) lyase	85.75%	91.11%
CHEMBL1860	P10827	Thyroid hormone receptor alpha	83.01%	99.15%
CHEMBL3091268	Q92753	Nuclear receptor ROR-beta	82.26%	95.50%
CHEMBL3437	Q16853	Amine oxidase, copper containing	82.13%	94.00%
CHEMBL221	P23219	Cyclooxygenase-1	81.85%	90.17%
CHEMBL335	P18031	Protein-tyrosine phosphatase 1B	80.23%	95.17%

Plants that contains it

There are no matching plants.

Cross-Links

• PubChem: 30819
• LOTUS: LTS0029237
• wikiData: Q19805940