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Gene Set: D4 : CTD - Isoxsuprine


Collection D4 : CTD
Chemical Name Isoxsuprine ( From PubChem : ISOXSUPRINE )
FDA NPC WHO Indian Australia China Traditional
Herbal
Clinical
Trail
NotNotNotNotNotNotNotNot
Molecular
Weight
Hydrogen Bond
Donor Count
Hydrogen Bond
Acceptor Count
cLogP Lipinski Rule
301.38 g/mol 3 4 3.2621 True
Structure
InChI InChI=1S/C18H23NO3/c1-13(12-22-17-6-4-3-5-7-17)19-14(2)18(21)15-8-10-16(20)11-9-15/h3-11,13-14,18-21H,12H2,1-2H3/t13-,14-,18+/m1/s1
InChIKey BMUKKTUHUDJSNZ-LBTNJELSSA-N
Links

Gene (3 / 4)


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Source Type Unit Value Gene PMID Assay Other
CTDincreases(activity)REN
D007556
ChEMBLAC50nM5011.870CYP1A2
-Target : CHEMBL3356
ChEMBLAC50nM316.230CYP2D6
-Target : CHEMBL289
ChEMBLPotencynM316.200CYP2D6
-Target : CHEMBL289
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