2-amino-7-methyl-1,5-dihydropteridine-4,6-dione

Details

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Internal ID 32425359-bc83-4d3f-b38c-95faff534f68
Taxonomy Organoheterocyclic compounds > Pteridines and derivatives > Pterins and derivatives
IUPAC Name 2-amino-7-methyl-1,5-dihydropteridine-4,6-dione
SMILES (Canonical)
SMILES (Isomeric)
InChI InChI=1S/C7H7N5O2/c1-2-5(13)10-3-4(9-2)11-7(8)12-6(3)14/h1H3,(H,10,13)(H3,8,9,11,12,14)
InChI Key QHJGJOBIIBEJNN-UHFFFAOYSA-N
Popularity 0 references in papers

Physical and Chemical Properties

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Molecular Formula C7H7N5O2
Molecular Weight 193.16 g/mol
Exact Mass 193.05997448 g/mol
Topological Polar Surface Area (TPSA) 109.00 Ų
XlogP -2.10

Synonyms

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There are no found synonyms.

2D Structure

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2D Structure of 2-amino-7-methyl-1,5-dihydropteridine-4,6-dione

3D Structure

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ADMET Properties (via admetSAR 2)

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

Targets

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Proven Targets:

CHEMBL ID UniProt ID Name Min activity Assay type Source
No proven targets yet!

Predicted Targets (via Super-PRED):

CHEMBL ID UniProt ID Name Probability Model accuracy
CHEMBL4040 P28482 MAP kinase ERK2 97.51% 83.82%
CHEMBL4224 P49759 Dual specificty protein kinase CLK1 89.76% 85.30%
CHEMBL3108638 O15164 Transcription intermediary factor 1-alpha 89.01% 95.56%
CHEMBL3038477 P67870 Casein kinase II alpha/beta 88.93% 99.23%
CHEMBL4261 Q16665 Hypoxia-inducible factor 1 alpha 88.03% 85.14%
CHEMBL4072 P07858 Cathepsin B 86.81% 93.67%
CHEMBL3401 O75469 Pregnane X receptor 83.81% 94.73%
CHEMBL262 P49841 Glycogen synthase kinase-3 beta 83.67% 95.72%
CHEMBL255 P29275 Adenosine A2b receptor 83.63% 98.59%
CHEMBL1952 P04818 Thymidylate synthase 83.59% 93.53%
CHEMBL2635 P51452 Dual specificity protein phosphatase 3 82.85% 94.00%
CHEMBL3864 Q06124 Protein-tyrosine phosphatase 2C 80.77% 94.42%

Plants that contains it

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Below are displayed all the plants proven (via scientific papers) to contain this compound!
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There are no matching plants.

Cross-Links

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PubChem 96726
LOTUS LTS0209357
wikiData Q83070492