Mirabimide E

Details

Top
Internal ID bdd7ff40-e30d-47c5-9fac-4e97afd67068
Taxonomy Organic acids and derivatives > Carboxylic acids and derivatives > Carboxylic acid derivatives > Carboxylic acid imides > N-substituted carboxylic acid imides
IUPAC Name [(2R,3R)-8,8,9,9-tetrachloro-1-[(2S)-3-methoxy-2-methyl-5-oxo-2H-pyrrol-1-yl]-2-methyl-1-oxodecan-3-yl] carbamate
SMILES (Canonical)
SMILES (Isomeric)
InChI InChI=1S/C18H26Cl4N2O5/c1-10(15(26)24-11(2)13(28-4)9-14(24)25)12(29-16(23)27)7-5-6-8-18(21,22)17(3,19)20/h9-12H,5-8H2,1-4H3,(H2,23,27)/t10-,11+,12-/m1/s1
InChI Key RYDJXLMYSWZJPD-GRYCIOLGSA-N
Popularity 5 references in papers

Physical and Chemical Properties

Top
Molecular Formula C18H26Cl4N2O5
Molecular Weight 492.20 g/mol
Exact Mass 492.056633 g/mol
Topological Polar Surface Area (TPSA) 98.90 Ų
XlogP 3.70

Synonyms

Top
SCHEMBL16431164
DTXSID501334073

2D Structure

Top
2D Structure of Mirabimide E

3D Structure

Top

ADMET Properties (via admetSAR 2)

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

Targets

Top

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 99.28% 83.82%
CHEMBL3251 P19838 Nuclear factor NF-kappa-B p105 subunit 98.71% 96.09%
CHEMBL2581 P07339 Cathepsin D 98.02% 98.95%
CHEMBL5619 P27695 DNA-(apurinic or apyrimidinic site) lyase 92.94% 91.11%
CHEMBL3137262 O60341 LSD1/CoREST complex 91.83% 97.09%
CHEMBL253 P34972 Cannabinoid CB2 receptor 91.11% 97.25%
CHEMBL4203 Q9HAZ1 Dual specificity protein kinase CLK4 89.98% 94.45%
CHEMBL3108638 O15164 Transcription intermediary factor 1-alpha 87.71% 95.56%
CHEMBL1293249 Q13887 Kruppel-like factor 5 86.52% 86.33%
CHEMBL4581 P52732 Kinesin-like protein 1 86.28% 93.18%
CHEMBL204 P00734 Thrombin 85.43% 96.01%
CHEMBL1293267 Q9HC97 G-protein coupled receptor 35 85.23% 89.34%
CHEMBL2274 Q9H228 Sphingosine 1-phosphate receptor Edg-8 84.17% 100.00%
CHEMBL3060 Q9Y345 Glycine transporter 2 83.98% 99.17%
CHEMBL5845 P23415 Glycine receptor subunit alpha-1 82.45% 90.71%
CHEMBL3892 Q99500 Sphingosine 1-phosphate receptor Edg-3 82.05% 97.29%
CHEMBL2413 P32246 C-C chemokine receptor type 1 81.65% 89.50%
CHEMBL1075094 Q16236 Nuclear factor erythroid 2-related factor 2 81.55% 96.00%
CHEMBL5608 Q16288 NT-3 growth factor receptor 81.25% 95.89%
CHEMBL1907591 P30926 Neuronal acetylcholine receptor; alpha4/beta4 81.01% 100.00%

Plants that contains it

Top
Below are displayed all the plants proven (via scientific papers) to contain this compound!
To see more specific details click the taxa you are interested in.
There are no matching plants.

Cross-Links

Top
PubChem 10458357
LOTUS LTS0181249
wikiData Q77368838