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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL257833
CHEMBL257833
Compound Name
ChEMBL Synonyms MRS-5151
Max Phase 0
Trade Names
Molecular Formula C26H27ClN6O5

Additional synonyms for CHEMBL257833 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CNC(=O)[C@@]12C[C@@H]1[C@H]([C@H](O)[C@@H]2O)n3cnc4c(NCc5ccc ...
Download SMILES
Standard InChI InChI=1S/C26H27ClN6O5/c1-28-25(38)26-11-16(26)20(21(36)22(26 ...
Download InChI
Standard InChI Key VWHZKAYCOHCKRI-CSTWGOEFSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL257833

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
539 538.1731 1.73 8 162.49 ACID


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
9 5 1 11 5 2


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
4.68 1.46 2.52 -.16 3 38 0.21

Structural Alerts

There are 3 structural alerts for CHEMBL257833. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:VWHZKAYCOHCKRI-CSTWGOEFSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL257833



BindingDB 50377686
PubChem 44232535
PubChem: Thomson Pharma 85251790
ZINC ZINC000029045002

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