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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL2203426
CHEMBL2203426
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C27H34N6O3

Additional synonyms for CHEMBL2203426 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CCN1CCC(CC1)c2ccc(nc2)C(=O)Nc3ccc(NC(=O)Nc4cc(on4)C(C)(C)C)c ...
Download SMILES
Standard InChI InChI=1S/C27H34N6O3/c1-5-33-14-12-18(13-15-33)19-6-11-22(28- ...
Download InChI
Standard InChI Key FVXFEJBGHYVGML-UHFFFAOYSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL2203426

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
490.6 490.2692 5.46 6 112.39 BASE


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
6 3 1 9 3 1


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
11.43 8.91 3.76 2.25 3 36 0.42

Structural Alerts

There are no structural alerts for CHEMBL2203426

Compound Cross References

ChemSpider ChemSpider:FVXFEJBGHYVGML-UHFFFAOYSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL2203426



BindingDB 50400614
PubChem 54761337
PubChem: Thomson Pharma 131525440
SureChEMBL SCHEMBL1698473
ZINC ZINC000095562760

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