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Gene Set: D4 : TTD - KMI-538

Collection D4 : TTD
Chemical Name KMI-538 ( From PubChem : KMI-538 )
FDA NPC WHO Indian Australia China Traditional
Herbal		 Clinical
Trail
NotNotNotNotNotNotNotNot
Molecular
Weight		 Hydrogen Bond
Donor Count		 Hydrogen Bond
Acceptor Count		 cLogP Lipinski Rule
807.912 g/mol 10 18 4.5888 False(1/4)
Structure
InChI InChI=1S/C39H49N7O10S/c1-20(2)13-29(44-36(51)31(21(3)4)46-34(49)28(41)18-42-33(48)23-14-24(39(55)56)16-25(40)15-23)35(50)45-30(19-57-27-11-6-5-7-12-27)32(47)37(52)43-26-10-8-9-22(17-26)38(53)54/h5-12,14-17,20-21,28-32,47H,13,18-19,40-41H2,1-4H3,(H,42,48)(H,43,52)(H,44,51)(H,45,50)(H,46,49)(H,53,54)(H,55,56)/t28-,29-,30-,31-,32+/m0/s1
InChIKey DFWUMZBCWONAOR-QEUNAIBPSA-N
Links

Gene (1 / 2)


⊖ Less
Source Type Unit Value Gene PMID Assay Other
TTDInhibitorBACE1Clinical trial target
TTDDrug(s)BACE1Clinical trial target
Download gene sets gmt, text, Detailed text
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