ChEMBL logo

ChEMBL

spacer
ChEMBL Statistics
  Loading Statistics...
spacer

Compound Report Card

Compound Name and Classification

Compound ID CHEMBL427526
CHEMBL427526
Compound Name (R)-IBUPROPHEN
ChEMBL Synonyms Ibuprofen | (R)-[11C]-Ibuprofen
Max Phase 0
Trade Names
Molecular Formula C13H18O2

Additional synonyms for CHEMBL427526 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CC(C)Cc1ccc(cc1)[C@@H](C)C(=O)O
Standard InChI InChI=1S/C13H18O2/c1-9(2)8-11-4-6-12(7-5-11)10(3)13(14)15/h4 ...
Download InChI
Standard InChI Key HEFNNWSXXWATRW-SNVBAGLBSA-N

Sources

  • DrugMatrix
  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL427526

Compound Bioactivity Summary

Compound Assay Summary

Compound Target Summary

Calculated Compound Parent Properties

Mol. Weight Mol. Weight Monoisotopic ALogP #Rotatable Bonds Polar Surface Area Molecular Species
206.3 206.1307 3.07 4 37.3 ACID


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
1 1 0 2 1 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
4.41 - 3.5 .58 1 15 0.82

Structural Alerts

There are no structural alerts for CHEMBL427526

Compound Cross References

ChemSpider ChemSpider:HEFNNWSXXWATRW-SNVBAGLBSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL427526



ACToR 51146-57-7
BindingDB 50169044
Brenda 94900 16555
ChEBI 47835
eMolecules 1935162
FDA SRS 99W8H60N62
IBM Patent System C9D7C06597FA10AA4D5C533C7C5A8E3A
Mcule MCULE-5291883887
MolPort MolPort-005-943-257
Nikkaji J384.812D
PDBe IZP
PubChem 114864
PubChem: Thomson Pharma 14797615
SureChEMBL SCHEMBL29057
ZINC ZINC000000113398

UniChem REST Service Call:
https://www.ebi.ac.uk/unichem/rest/verbose_inchikey/HEFNNWSXXWATRW-SNVBAGLBSA-N spacer
spacer