ChEMBL logo

ChEMBL

spacer
ChEMBL Statistics
  Loading Statistics...
spacer

Compound Report Card

Compound Name and Classification

Compound ID CHEMBL109783
CHEMBL109783
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C14H19N3O3S

Additional synonyms for CHEMBL109783 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CS(=O)(=O)Nc1c(O)ccc2C(CCCc12)C3=NCCN3
Standard InChI InChI=1S/C14H19N3O3S/c1-21(19,20)17-13-10-3-2-4-11(14-15-7-8 ...
Download InChI
Standard InChI Key OQFCXJDXHCDLHX-UHFFFAOYSA-N

Sources

  • PubChem BioAssays
  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL109783

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
309.4 309.1147 1.19 3 90.79 BASE


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
5 3 0 6 3 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
8.94 10.47 .94 -1.02 1 21 0.73

Structural Alerts

There are 2 structural alerts for CHEMBL109783. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:OQFCXJDXHCDLHX-UHFFFAOYSA-N
PubChem SID: 26752047

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL109783



BindingDB 50118703
ChEBI 103854
Guide to Pharmacology 480
IBM Patent System E48D8FEE525975F2B58C6F3CE2B57D27
LINCS LSM-15205
Nikkaji J680.145E
PubChem 4038180
PubChem: Thomson Pharma 14752118
SureChEMBL SCHEMBL8856920

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