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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL587884
CHEMBL587884
Compound Name
ChEMBL Synonyms GNF-Pf-5539
Max Phase 0
Trade Names
Molecular Formula C24H20B-

Additional synonyms for CHEMBL587884 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES c1ccc(cc1)[B-](c2ccccc2)(c3ccccc3)c4ccccc4
Standard InChI InChI=1S/C24H20B/c1-5-13-21(14-6-1)25(22-15-7-2-8-16-22,23-1 ...
Download InChI
Standard InChI Key SVHQOIWIRUVWII-UHFFFAOYSA-N

Sources

  • Novartis Malaria Screening

Alternate Forms of Compound in ChEMBL


CHEMBL587884

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
319.2 319.1664 - - - -


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
- - - - - -


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- - - - - - -0

Structural Alerts

There are no structural alerts for CHEMBL587884

Compound Cross References

ChemSpider ChemSpider:SVHQOIWIRUVWII-UHFFFAOYSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL587884



ACToR 4358-26-3
BindingDB 37044
Brenda 132700
eMolecules 6873795
FDA SRS 8TYC18K6NX
IBM Patent System 34EEC77803B2DD850E447B574636517A
Mcule MCULE-2919817854
MolPort MolPort-003-005-456
Nikkaji J323.075I
NMRShiftDB 20053307
PubChem 8934
PubChem: Thomson Pharma 14874641
SureChEMBL SCHEMBL143876
ZINC ZINC000169743019

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