3-(2-Amino-4,6-dioxo-3,5-dihydropteridin-7-yl)-2-hydroxypropanoic acid

Details

• Internal ID: 9940a10c-8ff9-46a3-ba3a-294e975db40b
• Taxonomy: Organoheterocyclic compounds > Pteridines and derivatives > Pterins and derivatives
• IUPAC Name: 3-(2-amino-4,6-dioxo-3,5-dihydropteridin-7-yl)-2-hydroxypropanoic acid
• InChI: InChI=1S/C9H9N5O5/c10-9-13-5-4(7(17)14-9)12-6(16)2(11-5)1-3(15)8(18)19/h3,15H,1H2,(H,12,16)(H,18,19)(H3,10,11,13,14,17)
• InChI Key: CFFJKEIFNMDYED-UHFFFAOYSA-N
• Popularity: 0 references in papers

Physical and Chemical Properties

• Molecular Formula: C₉H₉N₅O₅
• Molecular Weight: 267.20 g/mol
• Exact Mass: 267.06036840 g/mol
• Topological Polar Surface Area (TPSA): 166.00 Ų
• XlogP: -3.20

Synonyms

There are no found synonyms.

2D Structure

ADMET Properties (via admetSAR 2)

Target	Value	Probability (raw)	Probability (%)
No predicted properties yet!

Targets

Proven Targets:

No proven targets yet!

Predicted Targets (via Super-PRED):

CHEMBL ID	UniProt ID	Name	Probability	Model accuracy
CHEMBL4203	Q9HAZ1	Dual specificity protein kinase CLK4	93.11%	94.45%
CHEMBL4261	Q16665	Hypoxia-inducible factor 1 alpha	91.54%	85.14%
CHEMBL4040	P28482	MAP kinase ERK2	88.91%	83.82%
CHEMBL3251	P19838	Nuclear factor NF-kappa-B p105 subunit	87.09%	96.09%
CHEMBL3038477	P67870	Casein kinase II alpha/beta	85.90%	99.23%
CHEMBL3060	Q9Y345	Glycine transporter 2	85.66%	99.17%
CHEMBL221	P23219	Cyclooxygenase-1	85.63%	90.17%
CHEMBL2581	P07339	Cathepsin D	85.41%	98.95%
CHEMBL3091268	Q92753	Nuclear receptor ROR-beta	85.40%	95.50%
CHEMBL213	P08588	Beta-1 adrenergic receptor	83.43%	95.56%
CHEMBL1781	P11387	DNA topoisomerase I	80.93%	97.00%
CHEMBL1293267	Q9HC97	G-protein coupled receptor 35	80.40%	89.34%

Plants that contains it

There are no matching plants.

Cross-Links

• PubChem: 163041951
• LOTUS: LTS0101570
• wikiData: Q104956482