2,4-Dimethyl-1H-indole

Details

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Internal ID 8e25cbee-6145-433d-bbbd-7ede1110e334
Taxonomy Organoheterocyclic compounds > Indoles and derivatives > Indoles
IUPAC Name 2,4-dimethyl-1H-indole
SMILES (Canonical)
SMILES (Isomeric)
InChI InChI=1S/C10H11N/c1-7-4-3-5-10-9(7)6-8(2)11-10/h3-6,11H,1-2H3
InChI Key YBUMNVFXMLIKDZ-UHFFFAOYSA-N
Popularity 4 references in papers

Physical and Chemical Properties

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Molecular Formula C10H11N
Molecular Weight 145.20 g/mol
Exact Mass 145.089149355 g/mol
Topological Polar Surface Area (TPSA) 15.80 Ų
XlogP 2.80

Synonyms

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10299-61-3
2,4-dimethylindole
2,4 dimethyl indole
SCHEMBL8230643
DTXSID70451166
CHEBI:169202
MFCD09701270
AKOS006331463
SB30276
CS-0342291
There are more than 10 synonyms. If you wish to see them all click here.

2D Structure

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2D Structure of 2,4-Dimethyl-1H-indole

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
CHEMBL3108638 O15164 Transcription intermediary factor 1-alpha 91.76% 95.56%
CHEMBL2581 P07339 Cathepsin D 91.26% 98.95%
CHEMBL3227 P41594 Metabotropic glutamate receptor 5 90.22% 96.42%
CHEMBL1913 P09619 Platelet-derived growth factor receptor beta 88.95% 95.70%
CHEMBL3401 O75469 Pregnane X receptor 87.46% 94.73%
CHEMBL5619 P27695 DNA-(apurinic or apyrimidinic site) lyase 86.51% 91.11%
CHEMBL1907 P15144 Aminopeptidase N 86.40% 93.31%
CHEMBL4302 P08183 P-glycoprotein 1 85.93% 92.98%
CHEMBL1907594 P30926 Neuronal acetylcholine receptor; alpha3/beta4 85.81% 97.23%
CHEMBL2535 P11166 Glucose transporter 85.15% 98.75%
CHEMBL3192 Q9BY41 Histone deacetylase 8 84.00% 93.99%
CHEMBL1936 P10721 Stem cell growth factor receptor 83.44% 84.17%
CHEMBL5409 Q8TDU6 G-protein coupled bile acid receptor 1 82.61% 93.65%
CHEMBL4203 Q9HAZ1 Dual specificity protein kinase CLK4 82.11% 94.45%

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 10997169
LOTUS LTS0080352
wikiData Q75055070