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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL570718
CHEMBL570718
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C38H38N3O8P

Additional synonyms for CHEMBL570718 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES OC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc2onc(c2)c3ccccc3)CP(=O)( ...
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Standard InChI InChI=1S/C38H38N3O8P/c42-36(39-34(37(43)44)21-27-13-5-1-6-14 ...
Download InChI
Standard InChI Key YJNWDJIIFRGLRO-ZCLHRBOTSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL570718

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
695.7 695.2397 6.08 16 168.06 ACID


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
7 4 2 11 4 3


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
2.74 - 5.56 .81 5 50 0.09

Structural Alerts

There are 5 structural alerts for CHEMBL570718. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:YJNWDJIIFRGLRO-ZCLHRBOTSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL570718



BindingDB 50303321
Brenda 81463
PubChem 44626709
PubChem: Thomson Pharma 87553835
ZINC ZINC000049694712

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