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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL1951184
CHEMBL1951184
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C29H37N3O11S

Additional synonyms for CHEMBL1951184 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES COc1cc(OC)c(cc1NC(=O)CCC(=O)O)S(=O)(=O)NCc2ccccc2N3CCC(COC(= ...
Download SMILES
Standard InChI InChI=1S/C29H37N3O11S/c1-41-23-16-24(42-2)25(15-21(23)31-26( ...
Download InChI
Standard InChI Key PRDHHOYRFMTLDT-UHFFFAOYSA-N

Sources

  • AstraZeneca Deposited Data
  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL1951184

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
635.7 635.2149 2.61 16 197.87 ACID


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
10 4 1 14 4 2


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
4.41 6.11 1.06 -3.38 2 44 0.2

Structural Alerts

There are 7 structural alerts for CHEMBL1951184. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:PRDHHOYRFMTLDT-UHFFFAOYSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL1951184



BindingDB 50365095
PDBe R84
PubChem 56603823
ZINC ZINC000073279645

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