ChEMBL logo

ChEMBL

spacer
ChEMBL Statistics
  Loading Statistics...
spacer

Compound Report Card

Compound Name and Classification

Compound ID CHEMBL259728
CHEMBL259728
Compound Name NITENPYRAM
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C11H15ClN4O2

Additional synonyms for CHEMBL259728 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CCN(Cc1ccc(Cl)nc1)\C(=C\[N+](=O)[O-])\NC
Standard InChI InChI=1S/C11H15ClN4O2/c1-3-15(11(13-2)8-16(17)18)7-9-4-5-10( ...
Download InChI
Standard InChI Key CFRPSFYHXJZSBI-DHZHZOJOSA-N

Sources

  • PubChem BioAssays
  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL259728

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
270.7 270.0884 1.85 6 71.3 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
5 1 0 6 1 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- 2.46 .51 .51 1 18 0.49

Structural Alerts

There are 9 structural alerts for CHEMBL259728. To view alerts please click here.

Compound Cross References

IRAC A - NERVE ACTION
A4 - NICOTINIC ACETYLCHOLINE RECEPTOR (NACHR) AGONISTS
A44A - NEONICOTINOIDS
A44A5 - NITENPYRAM
ChemSpider ChemSpider:CFRPSFYHXJZSBI-DHZHZOJOSA-N
PubChem SID: 144205895 SID: 170466859

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL259728



ACToR 150824-47-8 120738-89-8
Brenda 24247
ChEBI 39170
ChemicalBook CB4763464 CB7763465
eMolecules 26754890
EPA CompTox Dashboard DTXSID8041080
FDA SRS 3A837VZ81Y
IBM Patent System C1280462726BEF9DB0C7B4A1C211B8B9
KEGG Ligand C18511
MolPort MolPort-003-666-647
PubChem 3034287
PubChem: Thomson Pharma 16011309
SureChEMBL SCHEMBL25788
ZINC ZINC000002381598

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