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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL30836
CHEMBL30836
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C15H19K2N2O6P

Additional synonyms for CHEMBL30836 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES [K+].[K+].C[C@H](NP(=O)([O-])OCc1ccccc1)C(=O)N2CCC[C@H]2C(=O ...
Download SMILES
Standard InChI InChI=1S/C15H21N2O6P.2K/c1-11(14(18)17-9-5-8-13(17)15(19)20) ...
Download InChI
Standard InChI Key ATOGCYBIVTXMJD-JBUFHSOLSA-L

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL30836

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
356.3 356.1137 1.36 7 116.17 ACID


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


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
3.14 4.35 .91 -3.84 1 24 0.63

Structural Alerts

There are 6 structural alerts for CHEMBL30836. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:ATOGCYBIVTXMJD-JBUFHSOLSA-L

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL30836



PubChem 44280448

UniChem REST Service Call:
https://www.ebi.ac.uk/unichem/rest/verbose_inchikey/ATOGCYBIVTXMJD-JBUFHSOLSA-L spacer
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