ChEMBL logo

ChEMBL

spacer
ChEMBL Statistics
  Loading Statistics...
spacer

Compound Report Card

Compound Name and Classification

Compound ID CHEMBL285999
CHEMBL285999
Compound Name
ChEMBL Synonyms BRL-46470
Max Phase 0
Trade Names
Molecular Formula C19H27N3O

Additional synonyms for CHEMBL285999 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CN1C2CCC1CC(C2)NC(=O)N3CC(C)(C)c4ccccc34
Standard InChI InChI=1S/C19H27N3O/c1-19(2)12-22(17-7-5-4-6-16(17)19)18(23)2 ...
Download InChI
Standard InChI Key ILXWRFDRNAKTDD-UHFFFAOYSA-N

Structural Alerts

There are no structural alerts for CHEMBL285999

Alternate Forms of Compound in ChEMBL


CHEMBL285999

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
313.4 313.2154 2.45 1 35.58 BASE


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
2 1 0 4 1 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
13.25 11.15 4.08 1.14 1 23 0.86

Compound Cross References

ChemSpider ChemSpider:ILXWRFDRNAKTDD-UHFFFAOYSA-N
Wikipedia Ricasetron

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL285999



BindinDB 50060257
IBM Patent System 749DEE35839E1E8A89A55FF4361FE03B
IBM Patents WO2010024870A1 US6602902 US20030059471 EP1954244A1 US20080319092 EP1094826A1 WO1992006689A1 WO2005089732A1 US20100226943 US5795909 US20060241134 EP1003540A1 EP1102597A1 US20030087306 EP1085887A2 US6221878 WO2007016766A1 US20050209293 US4942160 US20070116729 WO2008090334A1 EP1107753A1 WO2005074931A1 EP1644043A1 US20060018933 US5200414 EP1083888A1 WO2005009510A2 EP1083921A1 US20070269379 US20030018008 EP1909772A1 US20010002404 US5322951 US4871744 US20090005722 US20070093462 EP1931760A2 WO2009148581A1 WO2007044693A2 EP1082289A1 EP1083893A1 EP1085868A1 EP1085894A1 WO2003097873A2 EP1085870A2 EP1085889A2 EP1100519A1 EP1083917A1 WO1997010823A1 WO2009060089A1 EP1080080A1 US5225407 US20100273750 US5246941 WO2010141470A2 US20040180949 US20020010208 US7820690 WO2010078300A1 US20060018934 WO2004105795A1 WO2007061529A1 US20040106589 WO2003100091A1 WO2010056986A2 EP1085847A2 US20060024365 US6576636 WO1999064046A1 WO1999066944A1 US20070259933 WO1994013284A1 EP1466628A1 WO2010120817A2 EP1727527A1 US5198447 US7199151 EP1336602A1 EP1019360A1
Nikkaji J534.363A
PubChem 9883287
PubChem: Thomson Pharma 14850240 14850172
SureChEMBL SCHEMBL634827

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