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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL227934
CHEMBL227934
Compound Name STRYCHNINE
ChEMBL Synonyms Strychnine Phosphate | Strychnine Valerate | Strychnine Sulfate | Strychnine Nitrate | Strychnine HCl | Strychnine Glycerophosphate | Strychnine
Max Phase 0
Trade Names
Molecular Formula C21H22N2O2

Additional synonyms for CHEMBL227934 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES O=C1C[C@@H]2OCC=C3CN4CC[C@@]56[C@@H]4C[C@@H]3[C@@H]2[C@@H]5N ...
Download SMILES
Standard InChI InChI=1S/C21H22N2O2/c24-18-10-16-19-13-9-17-21(6-7-22(17)11- ...
Download InChI
Standard InChI Key QMGVPVSNSZLJIA-FVWCLLPLSA-N

Molecule Features

CHEMBL227934 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

Clinical Data

Number of clinical trials registered at clinicaltrials.gov
Number of reviews at The Cochrane Collaboration
Number of entries at British National Formulary

Structural Alerts

There are 1 structural alerts for CHEMBL227934. To view alerts please click here.

Alternate Forms of Compound in ChEMBL


CHEMBL227934

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 CHEMBL227934. 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 0.353

10uM


ChEMBL_ID Target Name Organism Score
CHEMBL233 Mu opioid receptor Homo sapiens 0.976
CHEMBL237 Kappa opioid receptor Homo sapiens 0.911
CHEMBL276 Muscarinic acetylcholine receptor M1 Rattus norvegicus 0.745

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:QMGVPVSNSZLJIA-FVWCLLPLSA-N
PubChem SID: 144205591 SID: 26754322
Wikipedia Strychnine

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL227934



ChEBI 28973
eMolecules 29909187 510211 29541143
EPA CompTox Dashboard DTXSID6023600
FDA SRS H9Y79VD43J
Guide to Pharmacology 2360 347
IBM Patent System 08649C944D314C5CF3E527C140D4301B
KEGG Ligand C06522
Mcule MCULE-9004784754 MCULE-2750751964
MolPort MolPort-001-742-519
Nikkaji J4.576D
PDBe SY9
PubChem 441071
PubChem: Thomson Pharma 16220048 16617507 15988875
SureChEMBL SCHEMBL93798

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