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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL189347
CHEMBL189347
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C28H37N3O8S

Additional synonyms for CHEMBL189347 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES Nc1ccc(cc1)S(=O)(=O)N(C[C@@H](O)[C@H](Cc2ccccc2)NC(=O)O[C@H] ...
Download SMILES
Standard InChI InChI=1S/C28H37N3O8S/c29-20-10-12-22(13-11-20)40(34,35)31(39 ...
Download InChI
Standard InChI Key KALBMBJPMINLKP-UIPNDDLNSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL189347

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
575.7 575.2301 2.59 11 149.65 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
9 3 1 11 4 2


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
11.37 .84 2.86 2.86 2 40 0.27

Structural Alerts

There are 11 structural alerts for CHEMBL189347. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:KALBMBJPMINLKP-UIPNDDLNSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL189347



BindingDB 9173
IBM Patent System 35B0B230ED3588DD5BCFFC8B03DF1810
PubChem 6321048
SureChEMBL SCHEMBL4875415
ZINC ZINC000014946339

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