|
rdf:type |
|
|
chemicalCompound:synonym |
synonym:27029_BL-191_RESEARCH_CODE,
synonym:27029_Oxpentifylline_BAN,
synonym:27029_Pentoxifylline_BAN,
synonym:27029_Pentoxifylline_FDA_ALTERNATIVE_NAME,
synonym:27029_Pentoxifylline_INN,
synonym:27029_Pentoxifylline_JAN,
synonym:27029_Pentoxifylline_TRADE_NAME,
synonym:27029_Pentoxifylline_USAN,
synonym:27029_Pentoxifylline_USP,
synonym:27029_Pentoxil_TRADE_NAME,
synonym:27029_Trental_TRADE_NAME
|
|
chemicalCompound:standardIn... |
InChI=1S/C13H18N4O3/c1-9(18)6-4-5-7-17-12(19)10-11(14-8-15(10)2)16(3)13(17)20/h8H,4-7H2,1-3H3
|
|
chemicalCompound:standardIn... |
BYPFEZZEUUWMEJ-UHFFFAOYSA-N
|
|
chemicalCompound:canonicalS... |
CN1C(=O)N(CCCCC(=O)C)C(=O)c2c1ncn2C
|
|
chemicalCompound:molecularF... |
C13H18N4O3
|
|
chemicalCompound:moleculeId |
27029
|
|
chemicalCompound:mwFreebase |
278.307
|
|
chemicalCompound:alogp |
0.507
|
|
chemicalCompound:hba |
4
|
|
chemicalCompound:hbd |
0
|
|
chemicalCompound:psa |
75.51
|
|
chemicalCompound:rtb |
5
|
|
chemicalCompound:ro3Pass |
N
|
|
chemicalCompound:numRo5viol... |
0
|
|
chemicalCompound:medChemFri... |
Y
|
|
chemicalCompound:acdLogP |
-0.149
|
|
chemicalCompound:acdLogD |
-0.149
|
|
chemicalCompound:molecularS... |
|
|
chemicalCompound:fullMwt |
278.307
|
|
chemicalCompound:acdMostBpk... |
0.501
|
|
chemicalCompound:chemblId |
CHEMBL628
|
|
chemicalCompound:maxPhase |
4
|
|
chemicalCompound:therapeuti... |
1
|
|
chemicalCompound:dosedIngre... |
Yes
|
|
chemicalCompound:structureT... |
|
|
chemicalCompound:chebi |
|
|
chemicalCompound:moleculeTy... |
|
|
chemicalCompound:oral |
Yes
|
|
chemicalCompound:parenteral |
No
|
|
chemicalCompound:topical |
No
|
|
chemicalCompound:blackBoxWa... |
No
|
|
chemicalCompound:naturalPro... |
Yes
|
|
chemicalCompound:proDrug |
No
|
|
chemicalCompound:prefName |
PENTOXIFYLLINE
|
|
chemicalCompound:firstAppro... |
1984
|
|
chemicalCompound:activity |
activity:134933,
activity:134934,
activity:134935,
activity:134936,
activity:134937,
activity:436249,
activity:436250,
activity:436251,
activity:558765,
activity:558766,
activity:558767,
activity:565581,
activity:565582,
activity:565583,
activity:565584,
activity:565585,
activity:694260,
activity:694261,
activity:694262,
activity:694263,
activity:774701,
activity:774702,
activity:774703,
activity:812485,
activity:812486,
activity:812487,
activity:812488,
activity:812489,
activity:812490,
activity:812491,
activity:812492,
activity:846248,
activity:849816,
activity:871054,
activity:871055,
activity:871056,
activity:871057,
activity:890579,
activity:1129750,
activity:1129751,
activity:1973281,
activity:1973282,
activity:1973283,
activity:1973284,
activity:1973285,
activity:1973286,
activity:1973287,
activity:1973288,
activity:2087923,
activity:2087924,
activity:2178553,
activity:2481037,
activity:3473206,
activity:3641040
|
