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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL11266
CHEMBL11266
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C49H44N8O5

Additional synonyms for CHEMBL11266 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES O[C@@H]1[C@@H](O)[C@@H](Cc2ccccc2)N(Cc3cccc(c3)C(=O)Nc4nc5cc ...
Download SMILES
Standard InChI InChI=1S/C49H44N8O5/c58-43-41(27-31-13-3-1-4-14-31)56(29-33- ...
Download InChI
Standard InChI Key UWSVAGUSMAEUKO-QHQGJXSCSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL11266

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
824.9 824.3435 7.33 12 179.57 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
7 6 3 13 6 4


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
10.41 5.3 7.4 7.39 8 62 0.07

Structural Alerts

There are no structural alerts for CHEMBL11266

Compound Cross References

ChemSpider ChemSpider:UWSVAGUSMAEUKO-QHQGJXSCSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL11266



ACToR 183854-21-9
BindingDB 155
Brenda 22366
DrugBank DB02729
EPA CompTox Dashboard DTXSID30171494
IBM Patent System B7BEC7FA8729F20327A8D93F9661DB65
Nikkaji J816.652H
PDBe 146
PubChem 444672
PubChem: Thomson Pharma 14840749
ZINC ZINC000085548773

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