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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

Structural Alerts

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

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

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
BindinDB 50000693
ChEBI 3092
eMolecules 715142
FDA SRS Y37615DVKC
Guide to Pharmacology 2312
IBM Patent System 3DA73C7E0A49B4F8A129CE102913933C
IBM Patents US20100114193 EP1224182A1 WO1995010521A1 US5972946 WO2005074641A2 US5266698 EP1963284A1 US20080176897 US7538197 US20100004251 US20060173064 WO2003007886A2 US4478851 US6706868 WO2010075388A2 US4738979 WO2003045897A1 US7183381 US6258836 WO2006112685A1 US5292906 WO2004069197A2 US6143736 US6211365 WO2007006157A1 US5506633 US20050176627 WO2005044190A2 US20100204748 US20050250833 US5278166 WO2001016301A1 WO2008020435A2 WO2010085352A2 US20020115611 EP0723546B1 US5804686 WO2009093916A2 US5130430 EP2167098A1 US20050164987 WO1999063933A2 WO2008019394A2 WO2004062563A2 US20070067002 WO1999005911A1 EP0725775B1 WO1999040114A1 WO2000068691A1 EP0394471A1 EP0951465B1 WO2010100643A2 WO2005079851A2 EP1019372B1 WO2003032975A1 EP1545552B1 US6008046 US7081471 EP1095136A1 US5817685 WO2008154579A1 EP1802350A1 US5182386 WO2002002630A2 EP1682152A2 EP2067494A1 WO2009104080A2 EP1038880B1 US5298220 WO2002071847A1 WO2006067611A1 WO1999006408A1 WO1996030364A1 EP0213572A1 EP1935414A2 WO1991001729A1 WO2001098779A2 EP0789567A1 US7440806 WO1998038988A1 US5095015 WO1995021612A2 WO1998039003A1 US20040097544 EP0850226A1 WO2009001356A2 WO2003011264A2 WO2010031054A1 EP0463969A1 US20060234298 EP1053253A1 EP0092459A2 US5990104 US7613520 US20080154329 US20030097159 US7747326 US5182290 US20070043032 US5118690
KEGG Ligand C09364
MolPort MolPort-001-728-112
Nikkaji J108.007E
PubChem 10237
PubChem: Thomson Pharma 15953321
Selleck bicuculline
SureChEMBL SCHEMBL8222
ZINC ZINC19899011

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