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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL206387
CHEMBL206387
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C26H24N6O7

Additional synonyms for CHEMBL206387 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES NC(=O)NCc1ccc(O)c(c1)c2cc(cc(c2O)c3nc4cc(ccc4[nH]3)C(=N)N)C( ...
Download SMILES
Standard InChI InChI=1S/C26H24N6O7/c27-23(28)12-2-3-18-19(8-12)32-24(31-18) ...
Download InChI
Standard InChI Key JCBJULMYEXYZRC-UHFFFAOYSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL206387

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
532.5 532.1706 2.4 9 248.73 ZWITTERION


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
7 9 2 13 11 3


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
3.67 12.59 -1.42 -4.91 4 39 0.11

Structural Alerts

There are 6 structural alerts for CHEMBL206387. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:JCBJULMYEXYZRC-UHFFFAOYSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL206387



BindingDB 50180400
IBM Patent System CBC9C12AF544D68D12C3799ACEAA40B5
PubChem: Thomson Pharma 15158621
SureChEMBL SCHEMBL6393298

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