2-(5-Amino-1-methyl-4,7-dioxoindol-3-yl)-1,3-thiazole-4-carboxamide

Details

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Internal ID b0d29b11-af15-4001-a310-f2cfc07dcddd
Taxonomy Organoheterocyclic compounds > Indoles and derivatives
IUPAC Name 2-(5-amino-1-methyl-4,7-dioxoindol-3-yl)-1,3-thiazole-4-carboxamide
SMILES (Canonical) CN1C=C(C2=C1C(=O)C=C(C2=O)N)C3=NC(=CS3)C(=O)N
SMILES (Isomeric) CN1C=C(C2=C1C(=O)C=C(C2=O)N)C3=NC(=CS3)C(=O)N
InChI InChI=1S/C13H10N4O3S/c1-17-3-5(13-16-7(4-21-13)12(15)20)9-10(17)8(18)2-6(14)11(9)19/h2-4H,14H2,1H3,(H2,15,20)
InChI Key ZLMULFPSOBULMS-UHFFFAOYSA-N
Popularity 5 references in papers

Physical and Chemical Properties

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Molecular Formula C13H10N4O3S
Molecular Weight 302.31 g/mol
Exact Mass 302.04736137 g/mol
Topological Polar Surface Area (TPSA) 149.00 Ų
XlogP 0.00

Synonyms

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135261-89-1
BE 10988
9B0RYT97P7
DTXSID90159293
4-Thiazolecarboxamide, 2-(5-amino-4,7-dihydro-1-methyl-4,7-dioxo-1H-indol-3-yl)-
RefChem:916780
DTXCID3081784
2-(5-amino-1-methyl-4,7-dioxoindol-3-yl)-1,3-thiazole-4-carboxamide
CHEMBL8740
UNII-9B0RYT97P7
There are more than 10 synonyms. If you wish to see them all click here.

2D Structure

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2D Structure of 2-(5-Amino-1-methyl-4,7-dioxoindol-3-yl)-1,3-thiazole-4-carboxamide

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 96.33% 96.09%
CHEMBL3038477 P67870 Casein kinase II alpha/beta 93.18% 99.23%
CHEMBL2581 P07339 Cathepsin D 92.34% 98.95%
CHEMBL3108638 O15164 Transcription intermediary factor 1-alpha 91.56% 95.56%
CHEMBL3864 Q06124 Protein-tyrosine phosphatase 2C 89.62% 94.42%
CHEMBL1907600 Q00535 Cyclin-dependent kinase 5/CDK5 activator 1 89.11% 93.03%
CHEMBL2378 P30307 Dual specificity phosphatase Cdc25C 87.46% 96.67%
CHEMBL1293249 Q13887 Kruppel-like factor 5 85.85% 86.33%
CHEMBL4208 P20618 Proteasome component C5 84.96% 90.00%
CHEMBL5409 Q8TDU6 G-protein coupled bile acid receptor 1 83.68% 93.65%
CHEMBL215 P09917 Arachidonate 5-lipoxygenase 83.67% 92.68%
CHEMBL4506 Q96EB6 NAD-dependent deacetylase sirtuin 1 83.64% 88.33%
CHEMBL3384 Q16512 Protein kinase N1 81.81% 80.71%
CHEMBL3835 P51955 Serine/threonine-protein kinase NEK2 81.67% 80.33%
CHEMBL2635 P51452 Dual specificity protein phosphatase 3 80.74% 94.00%
CHEMBL1293294 P51151 Ras-related protein Rab-9A 80.45% 87.67%
CHEMBL2085 P14174 Macrophage migration inhibitory factor 80.23% 80.78%

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 126200
LOTUS LTS0088941
wikiData Q83027598