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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL2074711
CHEMBL2074711
Compound Name GREPAFLOXACIN GLUCURONIDE
ChEMBL Synonyms Grepafloxacin glucuronide
Max Phase 0
Trade Names
Molecular Formula C25H30FN3O9

Additional synonyms for CHEMBL2074711 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CC1CN(CCN1)c2cc3N(C=C(C(=O)O[C@@H]4O[C@@H]([C@@H](O)[C@H](O) ...
Download SMILES
Standard InChI InChI=1S/C25H30FN3O9/c1-10-8-28(6-5-27-10)15-7-14-16(11(2)17 ...
Download InChI
Standard InChI Key XFRNDEMKHRYQIZ-NWHISXNDSA-N

Sources

  • TP-search Transporter Database

Alternate Forms of Compound in ChEMBL


CHEMBL2074711

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
535.5 535.1966 -0.37 5 170.79 ZWITTERION


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
11 5 2 12 5 2


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
2.65 8.74 .9 -1.64 2 38 0.32

Structural Alerts

There are 4 structural alerts for CHEMBL2074711. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:XFRNDEMKHRYQIZ-NWHISXNDSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL2074711



BindingDB 50391008
Brenda 126977
ChEBI 5544
KEGG Ligand C11597
Nikkaji J2.775.232B
PubChem 443296
PubChem: Thomson Pharma 15061315

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