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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL208009
CHEMBL208009
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C25H28N4O4

Additional synonyms for CHEMBL208009 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES Cc1cc(COc2ccc(cc2)C(=O)NC3(CC(=O)NO)CCNCC3)c4ccccc4n1
Standard InChI InChI=1S/C25H28N4O4/c1-17-14-19(21-4-2-3-5-22(21)27-17)16-33 ...
Download InChI
Standard InChI Key BODLESUVCQEUII-UHFFFAOYSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL208009

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
448.5 448.2111 2.87 7 112.58 BASE


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
6 4 0 8 4 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
9.25 9.88 3.12 .88 3 33 0.33

Structural Alerts

There are 6 structural alerts for CHEMBL208009. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:BODLESUVCQEUII-UHFFFAOYSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL208009



BindingDB 50183711
Guide to Pharmacology 8663
IBM Patent System F8E190A6297FCB5FBC23537B1FCEFAC0
PubChem 10160968
PubChem: Thomson Pharma 15154123
SureChEMBL SCHEMBL6595826
ZINC ZINC000034355011

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