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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL575863
CHEMBL575863
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C14H17N3O5

Additional synonyms for CHEMBL575863 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES OC[C@H]1O[C@H]([C@H](O)[C@@H](O)[C@H]1O)n2cc(nn2)c3ccccc3
Standard InChI InChI=1S/C14H17N3O5/c18-7-10-11(19)12(20)13(21)14(22-10)17-6 ...
Download InChI
Standard InChI Key SLCZDPXCZLKLKY-MBJXGIAVSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL575863

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
307.3 307.1168 -1.08 3 120.86 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
8 4 0 8 4 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
12.77 - .5 .5 2 22 0.57

Structural Alerts

There are no structural alerts for CHEMBL575863

Compound Cross References

ChemSpider ChemSpider:SLCZDPXCZLKLKY-MBJXGIAVSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL575863



BindingDB 50298560
Brenda 155700
PubChem 11580364
PubChem: Thomson Pharma 16682778
ZINC ZINC000035856945

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