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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL2203434
CHEMBL2203434
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C27H34N6O4

Additional synonyms for CHEMBL2203434 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CCN1CCC(CC1)Oc2ccc(nc2)C(=O)Nc3ccc(NC(=O)Nc4cc(on4)C(C)(C)C) ...
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Standard InChI InChI=1S/C27H34N6O4/c1-5-33-14-12-20(13-15-33)36-21-10-11-22 ...
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Standard InChI Key GVFQHBBRWBJGNU-UHFFFAOYSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL2203434

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
506.6 506.2642 5.13 7 121.62 NEUTRAL


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 8.39 2.88 1.85 3 37 0.41

Structural Alerts

There are no structural alerts for CHEMBL2203434

Compound Cross References

ChemSpider ChemSpider:GVFQHBBRWBJGNU-UHFFFAOYSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL2203434



BindingDB 50400601
PubChem 54761157
PubChem: Thomson Pharma 131525266
SureChEMBL SCHEMBL1698611
ZINC ZINC000095558214

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