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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL286339
CHEMBL286339
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C27H43N2O6P

Additional synonyms for CHEMBL286339 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES NCCCC[C@H](OP(=O)(O)CCCCc1ccccc1)C(=O)N2C[C@H](C[C@H]2C(=O)O ...
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Standard InChI InChI=1S/C27H43N2O6P/c28-17-9-7-16-25(35-36(33,34)18-10-8-13 ...
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Standard InChI Key FKYBDZSZSPXNKE-SDHOMARFSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL286339

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
522.6 522.2859 4.59 14 130.16 ZWITTERION


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
5 3 1 8 4 1


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
2.56 10.41 4.3 .8 1 36 0.24

Structural Alerts

There are 8 structural alerts for CHEMBL286339. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:FKYBDZSZSPXNKE-SDHOMARFSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL286339



BindingDB 50406394
PubChem 14630735
ZINC ZINC000013600004

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