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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL146746
CHEMBL146746
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C17H29N3O9S2

Additional synonyms for CHEMBL146746 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CC[C@@H](C)[C@H](NC(=O)[C@H](S)[C@H](N)CCS(=O)(=O)O)C(=O)N1C ...
Download SMILES
Standard InChI InChI=1S/C17H29N3O9S2/c1-3-8(2)11(19-14(21)13(30)10(18)5-7-3 ...
Download InChI
Standard InChI Key HUWSZNZAROKDRZ-RRLWZMAJSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL146746

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
483.6 483.1345 -1.19 11 204.4 ZWITTERION


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
8 6 1 12 6 2


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
1.46 9.38 -.08 -4.85 0 31 0.15

Structural Alerts

There are 12 structural alerts for CHEMBL146746. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:HUWSZNZAROKDRZ-RRLWZMAJSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL146746



BindingDB 50083386
Guide to Pharmacology 8630
PubChem 44365324 44365325

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