ChEMBL logo

ChEMBL

spacer
ChEMBL Statistics
  Loading Statistics...
spacer

Compound Report Card

Compound Name and Classification

Compound ID CHEMBL612118
CHEMBL612118
Compound Name STRYCHNINE NITRATE
ChEMBL Synonyms Strychnine Nitrate
Max Phase 0
Trade Names
Molecular Formula C21H23N3O5

Additional synonyms for CHEMBL612118 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES O[N+](=O)[O-].O=C1C[C@@H]2OCC=C3CN4CC[C@@]56[C@@H]4C[C@@H]3[ ...
Download SMILES
Standard InChI InChI=1S/C21H22N2O2.HNO3/c24-18-10-16-19-13-9-17-21(6-7-22(1 ...
Download InChI
Standard InChI Key PCGVPMHGSJFFTI-ZEYGOCRCSA-N

Molecule Features

CHEMBL612118 compound icon
Drug Type:Natural Product Rule of Five:Y First In Class:N Chirality:Single Stereoisomer Prodrug:N Oral:Unclassified Parenteral:Unclassified Topical:Unclassified Black Box:Unclassified Availability Type:Unclassified

Structural Alerts

There are 1 structural alerts for CHEMBL612118. To view alerts please click here.

Alternate Forms of Compound in ChEMBL


CHEMBL612118

Compound Bioactivity Summary

Compound Assay Summary

Compound Target Summary

Target Predictions

The two tables below display ChEMBL single-protein targets which are predicted to interact with CHEMBL612118. A 1uM and 10 uM cut-off have been applied to ChEMBL bioactivity data used to generate the respective models and the yellow coloured rows correspond to genuine predictions, i.e. targets not included in the original training set for this compound.


1uM


ChEMBL_ID Target Name Organism Score
CHEMBL276 Muscarinic acetylcholine receptor M1 Rattus norvegicus 0.351

10uM


ChEMBL_ID Target Name Organism Score
CHEMBL233 Mu opioid receptor Homo sapiens 0.917
CHEMBL237 Kappa opioid receptor Homo sapiens 0.894
CHEMBL276 Muscarinic acetylcholine receptor M1 Rattus norvegicus 0.757

Calculated Compound Parent Properties

Mol. Weight Mol. Weight Monoisotopic ALogP #Rotatable Bonds Polar Surface Area Molecular Species
334.4 334.1681 1.15 0 32.78 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
3 0 0 4 0 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- 8.37 1.59 .55 1 25 0.67

Compound Cross References

ChemSpider ChemSpider:PCGVPMHGSJFFTI-ZEYGOCRCSA-N
Wikipedia Strychnine

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL612118



eMolecules 30316241
FDA SRS O642E96711
PubChem 23616203
SureChEMBL SCHEMBL1049901

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