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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL281795
CHEMBL281795
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C25H36N4O4

Additional synonyms for CHEMBL281795 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CC(C)C[C@H](CC(=O)NO)C(=O)N[C@H]1Cc2cn(CCCCCCNC1=O)c3ccccc23
Standard InChI InChI=1S/C25H36N4O4/c1-17(2)13-18(15-23(30)28-33)24(31)27-21 ...
Download InChI
Standard InChI Key GCBPAPVOMPJQHK-NQIIRXRSSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL281795

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
456.6 456.2737 2.92 6 112.46 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
5 4 0 8 4 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
9.17 - 3.96 3.95 2 33 0.4

Structural Alerts

There are 6 structural alerts for CHEMBL281795. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:GCBPAPVOMPJQHK-NQIIRXRSSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL281795



BindingDB 50086884
DrugBank DB08489
IBM Patent System 4B198C8E784DB0A143ADF281E1A9B61C
PDBe RRS
PubChem 478379
PubChem: Thomson Pharma 15082951 14784450
SureChEMBL SCHEMBL7433628
ZINC ZINC000003811057

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