ChEMBL logo

ChEMBL

spacer
ChEMBL Statistics
  Loading Statistics...
spacer

Compound Report Card

Compound Name and Classification

Compound ID CHEMBL1697844
CHEMBL1697844
Compound Name NICOFURANOSE
ChEMBL Synonyms ES 304 | BRADILAN | NICOFURANOSE
Max Phase 4 (Approved)
Trade Names BRADILAN
Molecular Formula C30H24N4O10

Additional synonyms for CHEMBL1697844 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES O[C@]1(COC(=O)c2cccnc2)O[C@H](COC(=O)c3cccnc3)[C@@H](OC(=O)c ...
Download SMILES
Standard InChI InChI=1S/C30H24N4O10/c35-26(19-5-1-9-31-13-19)40-17-23-24(42 ...
Download InChI
Standard InChI Key FUWFSXZKBMCSKF-ZASNTINBSA-N

Sources

  • British National Formulary
  • PubChem BioAssays
  • Scientific Literature
  • USP Dictionary of USAN and International Drug Names
  • WHO Anatomical Therapeutic Chemical Classification

Alternate Forms of Compound in ChEMBL


CHEMBL1697844

Molecule Features

CHEMBL1697844 compound icon
Drug Type:Natural Product-derived Rule of Five:N First In Class:N Chirality:Single Stereoisomer Prodrug:N Oral:N Parenteral:N Topical:N Black Box:N Availability Type:Unknown

Clinical Data

ClinicalTrials.gov NICOFURANOSE
The Cochrane Collaboration NICOFURANOSE

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
600.5 600.1492 1.82 10 186.22 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
14 1 2 14 1 2


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
9.53 3.1 -1.53 -1.53 4 44 0.21

Structural Alerts

There are 2 structural alerts for CHEMBL1697844. To view alerts please click here.

Compound Cross References

ATC C - CARDIOVASCULAR SYSTEM
C10 - LIPID MODIFYING AGENTS
C10A - LIPID MODIFYING AGENTS, PLAIN
C10AD - Nicotinic acid and derivatives
C10AD03 - nicofuranose

ChemSpider ChemSpider:FUWFSXZKBMCSKF-ZASNTINBSA-N
PubChem SID: 144205184

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL1697844



ACToR 12041-87-1 15351-13-0
ChEBI 135846
DrugCentral 1916
eMolecules 36772668
EPA CompTox Dashboard DTXSID6023365
FDA SRS GF99P6327K
Nikkaji J8.561H
PubChem 25495
PubChem: Thomson Pharma 14887216
SureChEMBL SCHEMBL406596
ZINC ZINC000004217093

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