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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL1185552
CHEMBL1185552
Compound Name
ChEMBL Synonyms UCL-1848
Max Phase 0
Trade Names
Molecular Formula C28H34N4

Additional synonyms for CHEMBL1185552 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES C1CCNc2cc[n+](CCCCC[n+]3ccc(NCC1)c4ccccc34)c5ccccc25
Standard InChI InChI=1S/C28H32N4/c1-7-17-29-25-15-21-31(27-13-5-3-11-23(25) ...
Download InChI
Standard InChI Key IOXVWOJJNCBJBX-ZUSIYWPSSA-P

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL1185552

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
426.6 426.2783 6.72 0 31.82 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
2 2 1 4 2 1


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- - .43 .43 4 32 0.31

Structural Alerts

There are 3 structural alerts for CHEMBL1185552. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:IOXVWOJJNCBJBX-ZUSIYWPSSA-P

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL1185552



Nikkaji J1.270.589A

UniChem REST Service Call:
https://www.ebi.ac.uk/unichem/rest/verbose_inchikey/IOXVWOJJNCBJBX-ZUSIYWPSSA-P spacer
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