ChEMBL logo

ChEMBL

spacer
ChEMBL Statistics
  Loading Statistics...
spacer

Compound Report Card

Compound Name and Classification

Compound ID CHEMBL284734
CHEMBL284734
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C25H33N2O6P

Additional synonyms for CHEMBL284734 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES NCCCC[C@H](OP(=O)(O)CCCCc1ccccc1)C(=O)N2[C@@H](Cc3ccccc23)C( ...
Download SMILES
Standard InChI InChI=1S/C25H33N2O6P/c26-16-8-6-15-23(33-34(31,32)17-9-7-12- ...
Download InChI
Standard InChI Key YNBOYTXJMIRRSS-GOTSBHOMSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL284734

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
488.5 488.2076 3.75 13 130.16 ZWITTERION


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
5 3 0 8 4 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
2.51 10.39 4 .51 2 34 0.29

Structural Alerts

There are 8 structural alerts for CHEMBL284734. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:YNBOYTXJMIRRSS-GOTSBHOMSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL284734



ACToR 117085-60-6
BindingDB 50406380
PubChem 3082827

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