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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL73800
CHEMBL73800
Compound Name
ChEMBL Synonyms MMV019555
Max Phase 0
Trade Names
Molecular Formula C32H38N4

Additional synonyms for CHEMBL73800 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES C(CCCNc1c2CCCCc2nc3ccccc13)CCNc4c5CCCCc5nc6ccccc46
Standard InChI InChI=1S/C32H38N4/c1(11-21-33-31-23-13-3-7-17-27(23)35-28-18 ...
Download InChI
Standard InChI Key IYNUCVAQGDCTFO-UHFFFAOYSA-N

Sources

  • GSK Malaria Screening
  • MMV Malaria Box
  • Scientific Literature
  • St Jude Leishmania Screening

Alternate Forms of Compound in ChEMBL


CHEMBL73800

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
478.7 478.3096 7.63 9 49.84 BASE


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


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- 9.4 7.32 4.78 4 36 0.24

Structural Alerts

There are 5 structural alerts for CHEMBL73800. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:IYNUCVAQGDCTFO-UHFFFAOYSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL73800



BindingDB 9047
eMolecules 15933362 26799222 26250944
Mcule MCULE-1637358946
MolPort MolPort-002-547-736 MolPort-023-224-385 MolPort-007-570-341
Nikkaji J1.282.460B
PubChem 1593398
PubChem: Thomson Pharma 15454998
ZINC ZINC000003641317

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