Pelopuradazole

Details

• Internal ID: 6b5e7dd9-6266-488e-a531-365d5b1ea5c5
• Taxonomy: Organoheterocyclic compounds > Azolines > Imidazolines > Imidazolinones
• IUPAC Name: 4-methyl-1,2-dihydroimidazol-5-one
• SMILES (Canonical): CC1=NCNC1=O
• SMILES (Isomeric): CC1=NCNC1=O
• InChI: InChI=1S/C4H6N2O/c1-3-4(7)6-2-5-3/h2H2,1H3,(H,6,7)
• InChI Key: SDFAQCKICUGIJO-UHFFFAOYSA-N
• Popularity: 1 reference in papers

Physical and Chemical Properties

• Molecular Formula: C₄H₆N₂O
• Molecular Weight: 98.10 g/mol
• Exact Mass: 98.048012819 g/mol
• Topological Polar Surface Area (TPSA): 41.50 Ų
• XlogP: -0.80

Synonyms

• 4-methyl-1,2-dihydroimidazol-5-one

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
CHEMBL2581	P07339	Cathepsin D	92.50%	98.95%
CHEMBL3251	P19838	Nuclear factor NF-kappa-B p105 subunit	85.72%	96.09%
CHEMBL5103	Q969S8	Histone deacetylase 10	84.87%	90.08%
CHEMBL3108638	O15164	Transcription intermediary factor 1-alpha	84.53%	95.56%
CHEMBL262	P49841	Glycogen synthase kinase-3 beta	83.18%	95.72%
CHEMBL3310	Q96DB2	Histone deacetylase 11	82.81%	88.56%
CHEMBL2635	P51452	Dual specificity protein phosphatase 3	81.43%	94.00%
CHEMBL3401	O75469	Pregnane X receptor	81.32%	94.73%
CHEMBL3038477	P67870	Casein kinase II alpha/beta	80.91%	99.23%
CHEMBL2345	P51812	Ribosomal protein S6 kinase alpha 3	80.80%	95.64%
CHEMBL5409	Q8TDU6	G-protein coupled bile acid receptor 1	80.75%	93.65%
CHEMBL2107	P61073	C-X-C chemokine receptor type 4	80.61%	93.10%

Plants that contains it

There are no matching plants.

Cross-Links

• PubChem: 21336721
• LOTUS: LTS0062887
• wikiData: Q77279736