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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL2203435
CHEMBL2203435
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C28H36N6O4

Additional synonyms for CHEMBL2203435 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CC(C)N1CCC(CC1)Oc2ccc(nc2)C(=O)Nc3ccc(NC(=O)Nc4cc(on4)C(C)(C ...
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Standard InChI InChI=1S/C28H36N6O4/c1-18(2)34-14-12-21(13-15-34)37-22-10-11 ...
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Standard InChI Key FGOGRVVUAJAJDC-UHFFFAOYSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL2203435

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
520.6 520.2798 5.52 7 121.62 BASE


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
7 3 2 10 3 2


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
10.91 9.17 3.23 1.47 3 38 0.38

Structural Alerts

There are no structural alerts for CHEMBL2203435

Compound Cross References

ChemSpider ChemSpider:FGOGRVVUAJAJDC-UHFFFAOYSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL2203435



BindingDB 50400608
PubChem 54762049
PubChem: Thomson Pharma 163513020
SureChEMBL SCHEMBL1698696
ZINC ZINC000095560547

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