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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL145946
CHEMBL145946
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C15H13NO4

Additional synonyms for CHEMBL145946 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES OC(=O)C(=O)CC(=O)c1ccn(Cc2ccccc2)c1
Standard InChI InChI=1S/C15H13NO4/c17-13(8-14(18)15(19)20)12-6-7-16(10-12)9 ...
Download InChI
Standard InChI Key GJYDUMPZXNVODS-UHFFFAOYSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL145946

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
271.3 271.0845 1.76 6 76.37 ACID


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
4 1 0 5 1 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
2.12 - -.1 -4.05 2 20 0.49

Structural Alerts

There are 8 structural alerts for CHEMBL145946. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:GJYDUMPZXNVODS-UHFFFAOYSA-N
Wikipedia Flubendazole

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL145946



BindingDB 50095508
IBM Patent System 19303ABA1935FD6DF19B79811461A08C
Nikkaji J1.473.023K
PubChem 483753
SureChEMBL SCHEMBL7184197
ZINC ZINC000027553296

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