|
rdf:type |
|
|
chemicalCompound:synonym |
synonym:3183_Desmethylondansetron_OTHER,
synonym:3183_GR-38032F_RESEARCH_CODE,
synonym:3183_Ondansetron_BAN,
synonym:3183_Ondansetron_FDA_ALTERNATIVE_NAME,
synonym:3183_Ondansetron_INN,
synonym:3183_Ondansetron_TRADE_NAME,
synonym:3183_Ondansetron_USAN,
synonym:3183_Ondansetron_USP,
synonym:3183_Zofran ODT_TRADE_NAME,
synonym:3183_Zofran_OTHER,
synonym:3183_Zofran_TRADE_NAME,
synonym:3183_Zuplenz_TRADE_NAME
|
|
chemicalCompound:standardIn... |
InChI=1S/C18H19N3O/c1-12-19-9-10-21(12)11-13-7-8-16-17(18(13)22)14-5-3-4-6-15(14)20(16)2/h3-6,9-10,13H,7-8,11H2,1-2H3
|
|
chemicalCompound:standardIn... |
FELGMEQIXOGIFQ-UHFFFAOYSA-N
|
|
chemicalCompound:canonicalS... |
Cc1nccn1CC2CCc3c(C2=O)c4ccccc4n3C
|
|
chemicalCompound:molecularF... |
C18H19N3O
|
|
chemicalCompound:moleculeId |
3183
|
|
chemicalCompound:mwFreebase |
293.363
|
|
chemicalCompound:alogp |
2.634
|
|
chemicalCompound:hba |
2
|
|
chemicalCompound:hbd |
0
|
|
chemicalCompound:psa |
39.82
|
|
chemicalCompound:rtb |
2
|
|
chemicalCompound:ro3Pass |
Y
|
|
chemicalCompound:numRo5viol... |
0
|
|
chemicalCompound:medChemFri... |
Y
|
|
chemicalCompound:acdLogP |
1.555
|
|
chemicalCompound:acdLogD |
1.201
|
|
chemicalCompound:molecularS... |
|
|
chemicalCompound:fullMwt |
293.363
|
|
chemicalCompound:acdMostBpk... |
7.502
|
|
chemicalCompound:chemblId |
CHEMBL46
|
|
chemicalCompound:maxPhase |
4
|
|
chemicalCompound:therapeuti... |
1
|
|
chemicalCompound:dosedIngre... |
Yes
|
|
chemicalCompound:structureT... |
|
|
chemicalCompound:chebi |
|
|
chemicalCompound:moleculeTy... |
|
|
chemicalCompound:oral |
Yes
|
|
chemicalCompound:parenteral |
Yes
|
|
chemicalCompound:topical |
No
|
|
chemicalCompound:blackBoxWa... |
No
|
|
chemicalCompound:naturalPro... |
No
|
|
chemicalCompound:proDrug |
No
|
|
chemicalCompound:prefName |
ONDANSETRON
|
|
chemicalCompound:firstAppro... |
1990
|
|
chemicalCompound:activity |
activity:34622,
activity:34623,
activity:34624,
activity:34625,
activity:34626,
activity:67439,
activity:80409,
activity:80410,
activity:146276,
activity:146277,
activity:146278,
activity:146279,
activity:146280,
activity:146281,
activity:152878,
activity:214234,
activity:214235,
activity:294196,
activity:305310,
activity:305311,
activity:319614,
activity:319615,
activity:357751,
activity:357752,
activity:357753,
activity:389048,
activity:389049,
activity:389050,
activity:404706,
activity:406773,
activity:406774,
activity:406775,
activity:406776,
activity:406777,
activity:416583,
activity:416584,
activity:416585,
activity:416586,
activity:416587,
activity:416588,
activity:416589,
activity:416590,
activity:416591,
activity:416592,
activity:416593,
activity:416594,
activity:416595,
activity:416596,
activity:416597,
activity:445720,
activity:445721,
activity:445722,
activity:445723
|
