(E)-N-[2-(3-methylimidazol-4-yl)ethyl]-3-phenylprop-2-enamide

Details

• Internal ID: f9f8edfb-a4ea-4f41-a47a-92f70a8deef3
• Taxonomy: Benzenoids > Benzene and substituted derivatives > Styrenes
• IUPAC Name: (E)-N-[2-(3-methylimidazol-4-yl)ethyl]-3-phenylprop-2-enamide
• SMILES (Canonical): CN1C=NC=C1CCNC(=O)C=CC2=CC=CC=C2
• SMILES (Isomeric): CN1C=NC=C1CCNC(=O)/C=C/C2=CC=CC=C2
• InChI: InChI=1S/C15H17N3O/c1-18-12-16-11-14(18)9-10-17-15(19)8-7-13-5-3-2-4-6-13/h2-8,11-12H,9-10H2,1H3,(H,17,19)/b8-7+
• InChI Key: ZWVWTXUJCBFNEW-BQYQJAHWSA-N
• Popularity: 0 references in papers

Physical and Chemical Properties

• Molecular Formula: C₁₅H₁₇N₃O
• Molecular Weight: 255.31 g/mol
• Exact Mass: 255.137162174 g/mol
• Topological Polar Surface Area (TPSA): 46.90 Ų
• XlogP: 1.70

Synonyms

There are no found synonyms.

2D Structure

ADMET Properties (via admetSAR 2)

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

Targets

Proven Targets:

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	96.74%	96.09%
CHEMBL2581	P07339	Cathepsin D	96.33%	98.95%
CHEMBL1293249	Q13887	Kruppel-like factor 5	96.20%	86.33%
CHEMBL1075094	Q16236	Nuclear factor erythroid 2-related factor 2	94.93%	96.00%
CHEMBL221	P23219	Cyclooxygenase-1	90.99%	90.17%
CHEMBL3108638	O15164	Transcription intermediary factor 1-alpha	89.06%	95.56%
CHEMBL1293277	O15118	Niemann-Pick C1 protein	88.11%	81.11%
CHEMBL5028	O14672	ADAM10	84.35%	97.50%
CHEMBL3401	O75469	Pregnane X receptor	84.21%	94.73%
CHEMBL4208	P20618	Proteasome component C5	84.14%	90.00%

Plants that contains it

• Lycium cestroides

Cross-Links

• PubChem: 14488660
• LOTUS: LTS0069435
• wikiData: Q105385265