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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL113830
CHEMBL113830
Compound Name (S,R)-IFENPRODIL
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C21H27NO2

Additional synonyms for CHEMBL113830 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-IIBYNOLFSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL113830

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
325.4 325.2042 4.19 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
10 9.52 3.61 1.53 2 24 0.87

Structural Alerts

There are no structural alerts for CHEMBL113830

Compound Cross References

ChemSpider ChemSpider:UYNVMODNBIQBMV-IIBYNOLFSA-N
Wikipedia Ifenprodil

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL113830



BindingDB 50080017
Nikkaji J624.239A
PubChem 11198145
PubChem: Thomson Pharma 16279852
ZINC ZINC000003616630

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