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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL2040681
CHEMBL2040681
Compound Name SPINOSAD
ChEMBL Synonyms PP-105 | NATROBA | SPINOSAD | XDE-105 | LY-232105
Max Phase 4 (Approved)
Trade Names NATROBA
Molecular Formula C83H132N2O20

Additional synonyms for CHEMBL2040681 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CC[C@H]1CCC[C@H](O[C@H]2CC[C@@H]([C@@H](C)O2)N(C)C)[C@@H](C) ...
Download SMILES
Standard InChI InChI=1S/C42H67NO10.C41H65NO10/c1-11-26-13-12-14-35(53-37-16 ...
Download InChI
Standard InChI Key JFLRKDZMHNBDQS-SGSTVUCESA-N

Sources

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

Alternate Forms of Compound in ChEMBL


CHEMBL2040681

Molecule Features

CHEMBL2040681 compound icon
Drug Type:Natural Product-derived Rule of Five:N First In Class:Y Chirality:Unknown Prodrug:N Oral:N Parenteral:N Topical:Y Black Box:N Availability Type:Prescription-only

Mechanism of Action

Mechanism of Action ChEMBL Target References
Nicotinic acetylcholine receptor agonist Nicotinic acetylcholine receptor Expert

Indications

MESH Heading MESH ID EFO ID EFO Term Max phase for indication References
Lice InfestationsD0103734DailyMed
DailyMed
DailyMed

Clinical Data

ClinicalTrials.gov SPINOSAD
The Cochrane Collaboration SPINOSAD

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
1478 1476.9373 - - - -


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 CHEMBL2040681

Compound Cross References

IRAC A - NERVE ACTION
A5 - NICOTINIC ACETYLCHOLINE RECEPTOR (NACHR) ALLOSTERIC ACTIVATORS
A55A - SPINOSYNS
A55A2 - SPINOSAD
ChemSpider ChemSpider:JFLRKDZMHNBDQS-SGSTVUCESA-N
DailyMed spinosad

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL2040681



DrugBank DB08823
PubChem 17754356
PubChem: Thomson Pharma 29212187
SureChEMBL SCHEMBL22966

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