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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL362071
CHEMBL362071
Compound Name COPTISINE
ChEMBL Synonyms Coptisine Picrate | Coptisine Chloride | Coptisine
Max Phase 0
Trade Names
Molecular Formula C19H14NO4

Additional synonyms for CHEMBL362071 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES C1Oc2cc3CC[n+]4cc5c6OCOc6ccc5cc4c3cc2O1
Standard InChI InChI=1S/C19H14NO4/c1-2-16-19(24-10-21-16)14-8-20-4-3-12-6-1 ...
Download InChI
Standard InChI Key XYHOBCMEDLZUMP-UHFFFAOYSA-N

Structural Alerts

There are 2 structural alerts for CHEMBL362071. To view alerts please click here.

Alternate Forms of Compound in ChEMBL


CHEMBL362071

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
320.3 320.0923 3.76 0 40.79 -


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
4 0 0 5 0 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- - -.2 -.2 3 24 0.59

Compound Cross References

ChemSpider ChemSpider:XYHOBCMEDLZUMP-UHFFFAOYSA-N
Wikipedia Coptisine

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL362071



ACToR 3486-66-6
FDA SRS 0GCL71VN14
IBM Patent System 81A8579D94EE06C3C35B4AEA63133388
IBM Patents EP1553920A1 WO1999020258A1 US20080292607 US20090035391 US20030194456 EP1024796A1 EP1781107A2 US20040097533 US20040219508 EP1027064A1 WO2000024934A1 US7601368 US6692777 US5906825 US20080089945 US20060045930 US20020039559 EP1940431A1 US20090306386 WO2006026284A2 WO2005017051A2 US20070104803 EP1789439A1 WO2003051875A1 US20060153927 US6793944 WO2004040259A2 US5466452 WO2001062089A1 WO2008033112A1 US6991813 US4200629 WO2004016239A1 US20080085322 US5589182 WO2005094861A1 WO2004011017A1 US20090270330 US20070116779 EP1951376A2 US7776915 US20090048246 US20040091556 US20090264341 WO2009002873A1 WO2003001982A2 WO2002085390A1 WO2006025068A1 WO2002092085A1 US20030145395 US7150887 WO2009151300A2 EP1027064B1 EP1986750A2 EP0387065A2 US20100120810 WO2009007457A2 US20060216251 WO2001007034A1 US20070298135 WO2007016223A2 EP1406643A2 US20050271750 US6887882 WO2006068759A2 US20100150895 US20050025843 US20030157206 EP1789439B1 WO2007038610A2 US7258877 US20070098649 EP2185521A2 US20040234627 US20080131528 WO2001066803A2 US20080175812 US20090269395 WO2007057549A2 US20080124404 US6419963 WO2003099200A2 WO2004093876A2 US7695741 US4970212 US7771757 US20030207270 US20030021850 US20020197334 WO2007029187A2 US20050080160 EP2014651A1 US6767560 US20030124206 US20070298132 US20100272790
KEGG Ligand C16938
Nikkaji J8.657F
PDBe KPT
PubChem 72322
PubChem: Thomson Pharma 15420800
SureChEMBL SCHEMBL156866
ZINC ZINC01709414

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