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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL1090758
CHEMBL1090758
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C21H36NO4P

Additional synonyms for CHEMBL1090758 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CCCCCCCCc1ccc2C[C@H](CCc2c1)[C@](C)(N)COP(=O)(O)O
Standard InChI InChI=1S/C21H36NO4P/c1-3-4-5-6-7-8-9-17-10-11-19-15-20(13-12 ...
Download InChI
Standard InChI Key ZOJBKIGIQRVLGZ-LEWJYISDSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL1090758

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
397.5 397.2382 4.52 11 92.78 ZWITTERION


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
3 3 0 5 4 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
1.77 10.91 4.15 .71 1 27 0.38

Structural Alerts

There are 11 structural alerts for CHEMBL1090758. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:ZOJBKIGIQRVLGZ-LEWJYISDSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL1090758



BindingDB 50314405
PubChem 46883880
ZINC ZINC000049780812

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