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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL1774077
CHEMBL1774077
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C26H34N4O2

Additional synonyms for CHEMBL1774077 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES O=C1CCc2ccc(OCCCCN3CCN(CC3)c4cccc5CCCCc45)nc2N1
Standard InChI InChI=1S/C26H34N4O2/c31-24-12-10-21-11-13-25(28-26(21)27-24) ...
Download InChI
Standard InChI Key VMYDRWOVWUPFPO-UHFFFAOYSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL1774077

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
434.6 434.2682 3.83 7 57.7 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
5 1 0 6 1 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
12.79 7.78 3.52 3.3 2 32 0.67

Structural Alerts

There are 1 structural alerts for CHEMBL1774077. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:VMYDRWOVWUPFPO-UHFFFAOYSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL1774077



BindingDB 50343274
IBM Patent System DA12276B88B3288FAF5DEBECADC2D97E
PubChem 11495769
PubChem: Thomson Pharma 16597683
SureChEMBL SCHEMBL4759905
ZINC ZINC000071316459

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