ChEMBL logo

ChEMBL

spacer
ChEMBL Statistics
  Loading Statistics...
spacer

Compound Report Card

Compound Name and Classification

Compound ID CHEMBL252059
CHEMBL252059
Compound Name FILIPIN
ChEMBL Synonyms U-5956 | FILIPIN
Max Phase 0
Trade Names
Molecular Formula C35H58O11

Additional synonyms for CHEMBL252059 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CCCCC[C@@H](O)[C@@H]1[C@@H](O)C[C@@H](O)C[C@@H](O)C[C@@H](O) ...
Download SMILES
Standard InChI InChI=1S/C35H58O11/c1-4-5-11-16-31(42)34-33(44)22-29(40)20-2 ...
Download InChI
Standard InChI Key IMQSIXYSKPIGPD-YQRUMEKGSA-N

Sources

  • Scientific Literature
  • USP Dictionary of USAN and International Drug Names

Alternate Forms of Compound in ChEMBL


CHEMBL252059

Molecule Features

CHEMBL252059 compound icon
Drug Type:Natural Product-derived Rule of Five:N First In Class:N Chirality:Single Stereoisomer Prodrug:N Oral:Unclassified Parenteral:Unclassified Topical:Unclassified Black Box:Unclassified Availability Type:Unclassified

Clinical Data

ClinicalTrials.gov FILIPIN
The Cochrane Collaboration FILIPIN

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
654.8 654.3979 1.89 5 208.37 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
11 9 3 11 9 3


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
12.77 - -.05 -.05 0 46 0.15

Structural Alerts

There are 7 structural alerts for CHEMBL252059. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:IMQSIXYSKPIGPD-YQRUMEKGSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL252059



ACToR 11078-21-0
ChEBI 83267
eMolecules 32456945
Metabolights MTBLC83267
MolPort MolPort-027-641-127
Nikkaji J755.176B
PubChem 6433194
PubChem: Drugs of the Future 87551004
PubChem: Thomson Pharma 16212591
SureChEMBL SCHEMBL17210465
ZINC ZINC000049949635

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