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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL35682
CHEMBL35682
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C26H37N2O8P

Additional synonyms for CHEMBL35682 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES COc1ccc(cc1OC)N(CC(=O)O)C(=O)[C@H](CCCCN)OP(=O)(O)CCCCc2cccc ...
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Standard InChI InChI=1S/C26H37N2O8P/c1-34-22-15-14-21(18-24(22)35-2)28(19-2 ...
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Standard InChI Key ICSYECGTOPPYSA-QHCPKHFHSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL35682

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
536.6 536.2288 3.84 17 148.62 ZWITTERION


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
7 3 1 10 4 1


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
2.45 10.38 1.67 -1.83 2 37 0.2

Structural Alerts

There are 8 structural alerts for CHEMBL35682. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:ICSYECGTOPPYSA-QHCPKHFHSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL35682



BindingDB 50406375
IBM Patent System F872B9FB859D47C081A4BCE7A0E95D2F
PubChem 14630797
SureChEMBL SCHEMBL9121541
ZINC ZINC000003924959

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