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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL267338
CHEMBL267338
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C34H47N5O15S

Additional synonyms for CHEMBL267338 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CC(C)[C@H](NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](Cc1ccc(O)cc1)NC( ...
Download SMILES
Standard InChI InChI=1S/C34H47N5O15S/c1-17(2)29(39-30(48)22(8-9-27(44)45)37 ...
Download InChI
Standard InChI Key TUMYCYGEAGXTOE-ONLUTQHPSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL267338

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
797.8 797.2789 -2.57 21 332 ACID


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
13 10 3 20 10 3


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
3.99 - -3.25 -8.06 1 55 0.06

Structural Alerts

There are 8 structural alerts for CHEMBL267338. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:TUMYCYGEAGXTOE-ONLUTQHPSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL267338



BindingDB 50091581
PubChem 44341677

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