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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL570953
CHEMBL570953
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C38H38N3O9P

Additional synonyms for CHEMBL570953 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 ...
Download InChI
Standard InChI Key ZPFSKFCSVXPMBD-PFESQZPFSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL570953

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 CHEMBL570953. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:ZPFSKFCSVXPMBD-PFESQZPFSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL570953



BindingDB 50303320
Brenda 27473 79801 201345
IBM Patent System 3F29A9EDCF89F6D6FDE1F3FBF399C2F7
PDBe 3ES
PubChem 11556698
PubChem: Drugs of the Future 123055409
PubChem: Thomson Pharma 16658809
SureChEMBL SCHEMBL3862250

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