1,3-diiodo-5-oxo-7,8-dihydro-6H-imidazo[1,5-c]pyrimidine-7-carboxylic acid

Details

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Internal ID a19aa9e0-b419-4692-b914-f7b2278710ae
Taxonomy Organic acids and derivatives > Carboxylic acids and derivatives > Amino acids, peptides, and analogues > Alpha amino acids and derivatives
IUPAC Name 1,3-diiodo-5-oxo-7,8-dihydro-6H-imidazo[1,5-c]pyrimidine-7-carboxylic acid
SMILES (Canonical)
SMILES (Isomeric)
InChI InChI=1S/C7H5I2N3O3/c8-4-3-1-2(5(13)14)10-7(15)12(3)6(9)11-4/h2H,1H2,(H,10,15)(H,13,14)
InChI Key QBFIEHVTLLEHLU-UHFFFAOYSA-N
Popularity 1 reference in papers

Physical and Chemical Properties

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Molecular Formula C7H5I2N3O3
Molecular Weight 432.94 g/mol
Exact Mass 432.84204 g/mol
Topological Polar Surface Area (TPSA) 84.20 Ų
XlogP 0.80

Synonyms

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There are no found synonyms.

2D Structure

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2D Structure of 1,3-diiodo-5-oxo-7,8-dihydro-6H-imidazo[1,5-c]pyrimidine-7-carboxylic acid

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
CHEMBL3038477 P67870 Casein kinase II alpha/beta 93.12% 99.23%
CHEMBL4261 Q16665 Hypoxia-inducible factor 1 alpha 91.89% 85.14%
CHEMBL3251 P19838 Nuclear factor NF-kappa-B p105 subunit 91.01% 96.09%
CHEMBL4040 P28482 MAP kinase ERK2 90.09% 83.82%
CHEMBL2095226 P05556 Integrin alpha-5/beta-1 89.36% 96.39%
CHEMBL5103 Q969S8 Histone deacetylase 10 86.11% 90.08%
CHEMBL3310 Q96DB2 Histone deacetylase 11 84.04% 88.56%
CHEMBL217 P14416 Dopamine D2 receptor 83.39% 95.62%
CHEMBL2581 P07339 Cathepsin D 81.71% 98.95%
CHEMBL1907600 Q00535 Cyclin-dependent kinase 5/CDK5 activator 1 81.14% 93.03%
CHEMBL3108638 O15164 Transcription intermediary factor 1-alpha 80.29% 95.56%

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 54587588
LOTUS LTS0093186
wikiData Q105217763