3-Isopropyl-2-methoxypyrido[2,3-b]pyrazine

Details

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Internal ID 4ee20f53-4dfe-4a09-aed2-75c8df18a5fd
Taxonomy Organoheterocyclic compounds > Pyridopyrazines
IUPAC Name 2-methoxy-3-propan-2-ylpyrido[2,3-b]pyrazine
SMILES (Canonical) CC(C)C1=NC2=C(C=CC=N2)N=C1OC
SMILES (Isomeric) CC(C)C1=NC2=C(C=CC=N2)N=C1OC
InChI InChI=1S/C11H13N3O/c1-7(2)9-11(15-3)13-8-5-4-6-12-10(8)14-9/h4-7H,1-3H3
InChI Key SRMZEDJVEFZIQU-UHFFFAOYSA-N
Popularity 1 reference in papers

Physical and Chemical Properties

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Molecular Formula C11H13N3O
Molecular Weight 203.24 g/mol
Exact Mass 203.105862047 g/mol
Topological Polar Surface Area (TPSA) 47.90 Ų
XlogP 1.90

Synonyms

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There are no found synonyms.

2D Structure

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2D Structure of 3-Isopropyl-2-methoxypyrido[2,3-b]pyrazine

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
CHEMBL3251 P19838 Nuclear factor NF-kappa-B p105 subunit 93.91% 96.09%
CHEMBL5619 P27695 DNA-(apurinic or apyrimidinic site) lyase 92.38% 91.11%
CHEMBL1075094 Q16236 Nuclear factor erythroid 2-related factor 2 90.60% 96.00%
CHEMBL2335 P42785 Lysosomal Pro-X carboxypeptidase 89.28% 100.00%
CHEMBL1293249 Q13887 Kruppel-like factor 5 88.50% 86.33%
CHEMBL2635 P51452 Dual specificity protein phosphatase 3 88.15% 94.00%
CHEMBL2581 P07339 Cathepsin D 87.69% 98.95%
CHEMBL2107 P61073 C-X-C chemokine receptor type 4 86.99% 93.10%
CHEMBL3401 O75469 Pregnane X receptor 86.70% 94.73%
CHEMBL2535 P11166 Glucose transporter 85.90% 98.75%
CHEMBL1860 P10827 Thyroid hormone receptor alpha 83.91% 99.15%
CHEMBL3524 P56524 Histone deacetylase 4 82.56% 92.97%
CHEMBL4306 P22460 Voltage-gated potassium channel subunit Kv1.5 82.41% 94.03%
CHEMBL4261 Q16665 Hypoxia-inducible factor 1 alpha 81.78% 85.14%
CHEMBL1937 Q92769 Histone deacetylase 2 80.50% 94.75%
CHEMBL2378 P30307 Dual specificity phosphatase Cdc25C 80.08% 96.67%
CHEMBL4208 P20618 Proteasome component C5 80.07% 90.00%

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 91664815
LOTUS LTS0109494
wikiData Q105259303