Tan Lab | DSigDB

Gene Set: D4 : TTD - ZRCCNCSSKWCRDHSRCC

Collection

D4 : TTD

Chemical Name

ZRCCNCSSKWCRDHSRCC ( From PubChem : ZRCCNCSSKWCRDHSRCC )

FDA	NPC	WHO	Indian	Australia	China	Traditional Herbal	Clinical Trail
Not	Not	Not	Not	Not	Not	Not	Not

Molecular Weight	Hydrogen Bond Donor Count	Hydrogen Bond Acceptor Count	cLogP	Lipinski Rule
2151.44 g/mol	36	62	-2.1712	False(1/4)

Structure

InChI

InChI=1S/C81H123N33O25S6/c82-16-4-3-10-40-62(123)102-45(20-36-24-95-39-9-2-1-8-38(36)39)67(128)112-53-30-142-145-34-57(111-64(125)42(12-6-18-93-80(87)88)98-66(127)44-14-15-59(119)97-44)78(139)114-54-31-143-144-33-56(77(138)109-52(61(84)122)29-140-141-32-55(113-69(130)47(22-58(83)118)104-75(54)136)76(137)108-51(28-117)73(134)107-50(27-116)72(133)99-40)110-65(126)43(13-7-19-94-81(89)90)100-71(132)49(26-115)106-68(129)46(21-37-25-91-35-96-37)103-70(131)48(23-60(120)121)105-63(124)41(101-74(53)135)11-5-17-92-79(85)86/h1-2,8-9,24-25,35,40-57,95,115-117H,3-7,10-23,26-34,82H2,(H2,83,118)(H2,84,122)(H,91,96)(H,97,119)(H,98,127)(H,99,133)(H,100,132)(H,101,135)(H,102,123)(H,103,131)(H,104,136)(H,105,124)(H,106,129)(H,107,134)(H,108,137)(H,109,138)(H,110,126)(H,111,125)(H,112,128)(H,113,130)(H,114,139)(H,120,121)(H4,85,86,92)(H4,87,88,93)(H4,89,90,94)/t40-,41-,42-,43-,44-,45-,46-,47+,48-,49-,50-,51-,52-,53?,54?,55?,56?,57-/m0/s1

InChIKey

BDKVNCLFYNBTCE-YMJKXHTASA-N

Links

Gene (1 / 1)

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Source	Type	Unit	Value	Gene	PMID	Assay	Other
TTD	Inhibitor			SCN4A			Successful target

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