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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL358498
CHEMBL358498
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C19H21N7O7

Additional synonyms for CHEMBL358498 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES COC(=O)c1c(no[n+]1[O-])C(=O)N2CCN(CC2)c3nc(N)c4cc(OC)c(OC)cc ...
Download SMILES
Standard InChI InChI=1S/C19H21N7O7/c1-30-12-8-10-11(9-13(12)31-2)21-19(22-1 ...
Download InChI
Standard InChI Key FBGMXLJBGLKIAC-UHFFFAOYSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL358498

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
459.4 459.1502 -0.4 5 173.08 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
12 1 1 14 2 1


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- 6.51 2.08 2.03 3 33 0.39

Structural Alerts

There are 3 structural alerts for CHEMBL358498. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:FBGMXLJBGLKIAC-UHFFFAOYSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL358498



BindingDB 50407712
Nikkaji J705.734B
PubChem 10527913
PubChem: Thomson Pharma 15553938
ZINC ZINC000013744949

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