ChEMBL logo

ChEMBL

spacer
ChEMBL Statistics
  Loading Statistics...
spacer

Compound Report Card

Compound Name and Classification

Compound ID CHEMBL417990
CHEMBL417990
Compound Name BICUCULLINE
ChEMBL Synonyms (+)-Bicuculline | Bicuculline
Max Phase 0
Trade Names
Molecular Formula C20H17NO6

Additional synonyms for CHEMBL417990 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CN1CCc2cc3OCOc3cc2[C@H]1[C@@H]4OC(=O)c5c6OCOc6ccc45
Standard InChI InChI=1S/C20H17NO6/c1-21-5-4-10-6-14-15(25-8-24-14)7-12(10)1 ...
Download InChI
Standard InChI Key IYGYMKDQCDOMRE-ZWKOTPCHSA-N

Sources

  • PubChem BioAssays
  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL417990

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
367.4 367.1056 2.83 1 66.46 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
7 0 0 7 0 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- 6.71 3.38 3.3 2 27 0.72

Structural Alerts

There are 1 structural alerts for CHEMBL417990. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:IYGYMKDQCDOMRE-ZWKOTPCHSA-N
PubChem SID: 56463577
Wikipedia Bicuculline

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL417990



ACToR 485-49-4
Atlas bicuculline
BindingDB 50000693
Brenda 169874
ChEBI 3092
DrugBank DB11562
eMolecules 715142
EPA CompTox Dashboard DTXSID3042687
FDA SRS Y37615DVKC
Guide to Pharmacology 2312
IBM Patent System 3DA73C7E0A49B4F8A129CE102913933C
KEGG Ligand C09364
Metabolights MTBLC3092
MolPort MolPort-001-728-112
Nikkaji J108.007E
PubChem 10237
PubChem: Thomson Pharma 15953321
Selleck bicuculline
SureChEMBL SCHEMBL8222
ZINC ZINC000019899011

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