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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL602184
CHEMBL602184
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C33H43N7O3

Additional synonyms for CHEMBL602184 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CN(C)CCCOc1ccc(CN2CCC(CC2)n3cnc4c(nc(nc34)c5cccc(CO)c5)N6CCO ...
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Standard InChI InChI=1S/C33H43N7O3/c1-37(2)13-4-18-43-29-9-7-25(8-10-29)22- ...
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Standard InChI Key PPKZLTMKAKJNMK-UHFFFAOYSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL602184

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
585.8 585.3427 3.99 11 92.01 BASE


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
10 1 1 10 1 1


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- 9.35 3 .49 4 43 0.26

Structural Alerts

There are 1 structural alerts for CHEMBL602184. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:PPKZLTMKAKJNMK-UHFFFAOYSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL602184



BindingDB 50305293
PubChem 46190736
PubChem: Thomson Pharma 96044283
ZINC ZINC000049767548

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