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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL2206279
CHEMBL2206279
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C29H38N6O4

Additional synonyms for CHEMBL2206279 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CC(C)(C)c1onc(NC(=O)Nc2ccc(NC(=O)c3ccc(OC4CC(C)(C)NC(C)(C)C4 ...
Download SMILES
Standard InChI InChI=1S/C29H38N6O4/c1-27(2,3)23-14-24(34-39-23)33-26(37)32- ...
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Standard InChI Key PBNPHBXRMOAALS-UHFFFAOYSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL2206279

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
534.7 534.2955 5.95 6 130.41 BASE


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
7 4 2 10 4 2


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
10.91 10.27 4.95 2.28 3 39 0.31

Structural Alerts

There are no structural alerts for CHEMBL2206279

Compound Cross References

ChemSpider ChemSpider:PBNPHBXRMOAALS-UHFFFAOYSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL2206279



BindingDB 50400615
PubChem 54760612
PubChem: Thomson Pharma 163513162
SureChEMBL SCHEMBL1698700
ZINC ZINC000095564159

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