ChEMBL logo

ChEMBL

spacer
ChEMBL Statistics
  Loading Statistics...
spacer

Compound Report Card

Compound Name and Classification

Compound ID CHEMBL95855
CHEMBL95855
Compound Name NICARBAZIN
ChEMBL Synonyms Nicarbazin
Max Phase 0
Trade Names
Molecular Formula C19H18N6O6

Additional synonyms for CHEMBL95855 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES Cc1cc(C)nc(O)n1.[O-][N+](=O)c2ccc(NC(=O)Nc3ccc(cc3)[N+](=O)[ ...
Download SMILES
Standard InChI InChI=1S/C13H10N4O5.C6H8N2O/c18-13(14-9-1-5-11(6-2-9)16(19)2 ...
Download InChI
Standard InChI Key UKHWDRMMMYWSFL-UHFFFAOYSA-N

Sources

  • PubChem BioAssays
  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL95855

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
- - - - - -


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
- - - - - -


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

Structural Alerts

There are no structural alerts for CHEMBL95855

Compound Cross References

ChemSpider ChemSpider:UKHWDRMMMYWSFL-UHFFFAOYSA-N
PubChem SID: 251919722
Wikipedia Nicarbazin

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL95855



ACToR 330-95-0
ChEBI 81725
eMolecules 31259890
EPA CompTox Dashboard DTXSID6034762
FDA SRS 11P9NUA12U
KEGG Ligand C18389
MolPort MolPort-005-940-631 MolPort-003-986-759
PubChem 9507
PubChem: Thomson Pharma 14758541
SureChEMBL SCHEMBL578675

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