|
rdf:type |
|
|
chemicalCompound:synonym |
|
|
chemicalCompound:standardIn... |
InChI=1S/C28H54N8/c1-9-29-15-17-31-13-3-21-35(23-19-33-11-1)25-27-5-7-28(8-6-27)26-36-22-4-14-32-18-16-30-10-2-12-34-20-24-36/h5-8,29-34H,1-4,9-26H2
|
|
chemicalCompound:standardIn... |
YIQPUIGJQJDJOS-UHFFFAOYSA-N
|
|
chemicalCompound:canonicalS... |
C(N1CCCNCCNCCCNCC1)c2ccc(CN3CCCNCCNCCCNCC3)cc2
|
|
chemicalCompound:molecularF... |
C28H54N8
|
|
chemicalCompound:moleculeId |
20346
|
|
chemicalCompound:mwFreebase |
502.782
|
|
chemicalCompound:alogp |
-0.52
|
|
chemicalCompound:hba |
8
|
|
chemicalCompound:hbd |
6
|
|
chemicalCompound:psa |
78.66
|
|
chemicalCompound:rtb |
4
|
|
chemicalCompound:ro3Pass |
N
|
|
chemicalCompound:numRo5viol... |
2
|
|
chemicalCompound:medChemFri... |
Y
|
|
chemicalCompound:acdLogP |
-0.816
|
|
chemicalCompound:acdLogD |
-6.881
|
|
chemicalCompound:molecularS... |
|
|
chemicalCompound:fullMwt |
502.782
|
|
chemicalCompound:acdMostBpk... |
10.597
|
|
chemicalCompound:chemblId |
CHEMBL18442
|
|
chemicalCompound:maxPhase |
4
|
|
chemicalCompound:therapeuti... |
1
|
|
chemicalCompound:dosedIngre... |
Yes
|
|
chemicalCompound:structureT... |
|
|
chemicalCompound:chebi |
|
|
chemicalCompound:moleculeTy... |
|
|
chemicalCompound:oral |
No
|
|
chemicalCompound:parenteral |
Yes
|
|
chemicalCompound:topical |
No
|
|
chemicalCompound:blackBoxWa... |
No
|
|
chemicalCompound:naturalPro... |
Yes
|
|
chemicalCompound:proDrug |
No
|
|
chemicalCompound:prefName |
PLERIXAFOR
|
|
chemicalCompound:firstAppro... |
2008
|
|
chemicalCompound:activity |
activity:135977,
activity:135978,
activity:135979,
activity:587176,
activity:587177,
activity:587178,
activity:587179,
activity:587180,
activity:587181,
activity:587182,
activity:587183,
activity:1140057,
activity:1140058,
activity:1140059,
activity:1140060,
activity:1143861,
activity:1143862,
activity:1143863,
activity:1143864,
activity:1725969,
activity:1727924,
activity:1727927,
activity:1727928,
activity:1727933,
activity:1727938,
activity:1727940,
activity:1812932,
activity:1812933,
activity:1812934,
activity:1833367,
activity:1833368,
activity:1833961,
activity:1833962,
activity:1833973,
activity:2001109,
activity:2088715,
activity:2183603,
activity:2183604,
activity:2183605,
activity:2183606,
activity:2183607,
activity:2183608,
activity:2183609,
activity:2183610,
activity:2183611,
activity:2183612,
activity:2183613,
activity:2183614,
activity:2183615,
activity:2183616,
activity:2183617,
activity:2183618,
activity:2183619,
activity:2183620,
activity:2183621,
activity:2183622,
activity:2183623,
activity:2183624,
activity:2183625,
activity:2183626,
activity:2183627,
activity:2183628
|
