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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL393362
CHEMBL393362
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C19H21IN6O4

Additional synonyms for CHEMBL393362 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CNC(=O)[C@H]1O[C@H]([C@H](OC)[C@@H]1O)n2cnc3c(NCc4cccc(I)c4) ...
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Standard InChI InChI=1S/C19H21IN6O4/c1-21-18(28)14-13(27)15(29-2)19(30-14)2 ...
Download InChI
Standard InChI Key ZYVFEGHLNPDSHB-NXEZDXNNSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL393362

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
524.3 524.0669 1.06 6 123.42 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
9 3 1 10 3 1


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
12.59 3.02 3.85 3.85 3 30 0.41

Structural Alerts

There are 4 structural alerts for CHEMBL393362. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:ZYVFEGHLNPDSHB-NXEZDXNNSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL393362



BindingDB 50215116
PubChem 44436082
ZINC ZINC000028865007

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