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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL49623
CHEMBL49623
Compound Name (R,S)-IFENPRODIL
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C21H27NO2

Additional synonyms for CHEMBL49623 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES C[C@@H]([C@H](O)c1ccc(O)cc1)N2CCC(Cc3ccccc3)CC2
Standard InChI InChI=1S/C21H27NO2/c1-16(21(24)19-7-9-20(23)10-8-19)22-13-11 ...
Download InChI
Standard InChI Key UYNVMODNBIQBMV-KKSFZXQISA-N

Sources

  • PubChem BioAssays
  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL49623

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
325.5 325.2042 3.77 5 43.7 BASE


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
3 2 0 3 2 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
9.99 9.52 3.61 1.52 2 24 0.88

Structural Alerts

There are no structural alerts for CHEMBL49623

Compound Cross References

ChemSpider ChemSpider:UYNVMODNBIQBMV-KKSFZXQISA-N
PubChem SID: 11113557

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL49623



BindingDB 50007674
IBM Patent System 62DF1FC2A0F4473E2AF9FA6CD96144E8
Nikkaji J624.238C
PDBe QEL
PubChem 6604117
SureChEMBL SCHEMBL12618846
ZINC ZINC000000014669

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