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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL3287322
CHEMBL3287322
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C36H37IN8O7

Additional synonyms for CHEMBL3287322 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@H](Cc2ccc(I)cc2)C(=O)N3Cc ...
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Standard InChI InChI=1S/C36H37IN8O7/c1-21(46)41-30(17-27-18-39-20-40-27)34( ...
Download InChI
Standard InChI Key IRYMLYQXVLFVAF-NUMJAJDCSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL3287322

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
820.7 820.183 1.86 14 222.52 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
8 5 1 15 6 3


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
13.09 6.7 1.6 1.52 4 52 0.07

Structural Alerts

There are 10 structural alerts for CHEMBL3287322. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:IRYMLYQXVLFVAF-NUMJAJDCSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL3287322



BindingDB 50017128
PubChem 90643802

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