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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL117130
CHEMBL117130
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C18H32NO5P

Additional synonyms for CHEMBL117130 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CCCCCCCCc1ccc(CCC(N)(CO)OP(=O)(O)O)cc1
Standard InChI InChI=1S/C18H32NO5P/c1-2-3-4-5-6-7-8-16-9-11-17(12-10-16)13- ...
Download InChI
Standard InChI Key KLULNXUHMWEEKT-UHFFFAOYSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL117130

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
373.4 373.2018 4.16 13 122.82 ACID


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
6 4 0 6 5 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
1.41 5.48 2.48 -1.23 1 25 0.23

Structural Alerts

There are 13 structural alerts for CHEMBL117130. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:KLULNXUHMWEEKT-UHFFFAOYSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL117130



BindingDB 50148399
PubChem 24812110
PubChem: Thomson Pharma 49759056
SureChEMBL SCHEMBL12084892

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