ChEMBL logo

ChEMBL

spacer
ChEMBL Statistics
  Loading Statistics...
spacer

Compound Report Card

Compound Name and Classification

Compound ID CHEMBL502866
CHEMBL502866
Compound Name AGELIFERIN
ChEMBL Synonyms Ageliferin
Max Phase 0
Trade Names
Molecular Formula C26H26Br2F6N10O6

Additional synonyms for CHEMBL502866 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES Nc1nc(c[nH]1)[C@H]2[C@H](CNC(=O)c3cc(Br)c[nH]3)[C@@H](CNC(=O ...
Download SMILES
Standard InChI InChI=1S/C22H24Br2N10O2.2C2HF3O2/c23-10-2-14(27-5-10)19(35)2 ...
Download InChI
Standard InChI Key DNQPQSFZLPZAIA-HHJICFAHSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL502866

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
620.3 618.045 1.75 7 199.18 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
6 8 2 12 10 2


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
13.84 8.33 2.12 .59 4 36 0.16

Structural Alerts

There are 3 structural alerts for CHEMBL502866. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:DNQPQSFZLPZAIA-HHJICFAHSA-N
Wikipedia Ageliferin

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL502866



PubChem 11513454 44575311
PubChem: Thomson Pharma 16615244

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