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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL438738
CHEMBL438738
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C66H75Cl2N9O24

Additional synonyms for CHEMBL438738 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CN[C@H](CC(C)C)C(=O)N[C@@H]1[C@H](O)c2ccc(Oc3cc4cc(Oc5ccc(cc ...
Download SMILES
Standard InChI InChI=1S/C66H75Cl2N9O24/c1-23(2)12-34(71-5)58(88)76-49-51(83 ...
Download InChI
Standard InChI Key ATHQCOUEZPBNLP-NJQOJQAESA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL438738

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
1449.3 1447.4302 - - - -


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 CHEMBL438738

Compound Cross References

ChemSpider ChemSpider:ATHQCOUEZPBNLP-NJQOJQAESA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL438738



IBM Patent System 7A7B17226C084DA122378683F4873F46
PubChem 44333967
SureChEMBL SCHEMBL13027042

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