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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL362985
CHEMBL362985
Compound Name
ChEMBL Synonyms MCL-129
Max Phase 0
Trade Names
Molecular Formula C34H47FN4O

Additional synonyms for CHEMBL362985 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES COc1ccc2ccccc2c1CCCCN3CCN(CC(N4CCN(CC4)C(C)C)c5ccc(F)cc5)CC3
Standard InChI InChI=1S/C34H47FN4O/c1-27(2)38-22-24-39(25-23-38)33(29-11-14 ...
Download InChI
Standard InChI Key SLGLZEJKMBCODK-UHFFFAOYSA-N

Sources

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

Alternate Forms of Compound in ChEMBL


CHEMBL362985

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
546.8 546.3734 6.63 11 22.19 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
5 0 2 5 0 1


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- 7.97 5.95 4.71 3 40 0.25

Structural Alerts

There are 2 structural alerts for CHEMBL362985. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:SLGLZEJKMBCODK-UHFFFAOYSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL362985



BindingDB 50166529
IBM Patent System AE13E2D0528BE6DAB536DF04291C3380
Nikkaji J2.561.460G
PubChem 10098971
PubChem: Thomson Pharma 15086377
SureChEMBL SCHEMBL5318500

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