ChEMBL logo

ChEMBL

spacer
ChEMBL Statistics
  Loading Statistics...
spacer

Compound Report Card

Compound Name and Classification

Compound ID CHEMBL2407969
CHEMBL2407969
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C26H34N4O4

Additional synonyms for CHEMBL2407969 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CCNC(=O)c1ccc(N2CCN(Cc3cc4NC(=O)C(C)Oc4c(OCC)c3)CC2)c(C)c1
Standard InChI InChI=1S/C26H34N4O4/c1-5-27-26(32)20-7-8-22(17(3)13-20)30-11 ...
Download InChI
Standard InChI Key LRYGOSVXEZTIKJ-UHFFFAOYSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL2407969

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
466.6 466.258 3.19 7 83.14 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
6 2 0 8 2 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
12.25 5.93 2.4 2.39 2 34 0.65

Structural Alerts

There are no structural alerts for CHEMBL2407969

Compound Cross References

ChemSpider ChemSpider:LRYGOSVXEZTIKJ-UHFFFAOYSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL2407969



BindingDB 50438231
IBM Patent System 5BB66A13996718A1B029357F5A48945B
PubChem 66716854
SureChEMBL SCHEMBL532023

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