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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL570732
CHEMBL570732
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C38H38N3O9P

Additional synonyms for CHEMBL570732 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES OC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc2onc(c2)c3ccccc3)CP(= ...
Download SMILES
Standard InChI InChI=1S/C38H38N3O9P/c42-31-18-16-27(17-19-31)20-34(37(44)45 ...
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Standard InChI Key ZPFSKFCSVXPMBD-JHOVWCEZSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL570732

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
711.7 711.2346 5.78 16 188.29 ACID


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
8 5 2 12 5 3


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
2.74 - 4.91 .16 5 51 0.08

Structural Alerts

There are 5 structural alerts for CHEMBL570732. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:ZPFSKFCSVXPMBD-JHOVWCEZSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL570732



BindingDB 50303319
Brenda 201344 27360 27472
PDBe 3EF
PubChem 44626711
PubChem: Thomson Pharma 87553837
ZINC ZINC000049695103

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