Tan Lab | DSigDB

Gene Set: D4 : CTD - iberiotoxin

Collection

D4 : CTD

Chemical Name

iberiotoxin ( From PubChem : IBERIOTOXIN )

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
4230.85 g/mol	61	111	2.8258	False(1/4)

Structure

InChI

InChI=1S/C179H274N50O55S7/c1-87(2)65-111-155(261)208-112(66-93-33-15-13-16-34-93)146(252)195-77-133(239)225-139(88(3)4)172(278)213-117(71-136(244)245)158(264)199-100(44-31-62-190-178(186)187)144(250)193-75-131(237)198-102(40-22-27-58-181)148(254)219-124(167(273)205-109(56-64-285-12)145(251)194-76-132(238)197-101(39-21-26-57-180)147(253)200-105(43-25-30-61-184)151(257)220-123-81-286-288-83-125(221-152(258)106(203-166(123)272)45-32-63-191-179(188)189)169(275)210-113(68-95-46-48-97(234)49-47-95)156(262)206-110(177(283)284)50-53-129(185)235)82-287-291-86-128(168(274)202-104(42-24-29-60-183)150(256)212-116(70-135(242)243)159(265)207-111)224-175(281)142(91(9)10)228-164(270)121(79-231)216-157(263)115(69-96-74-192-99-38-20-19-37-98(96)99)211-170(276)126-84-289-290-85-127(171(277)217-122(80-232)165(271)227-141(90(7)8)174(280)218-120(78-230)163(269)201-103(41-23-28-59-182)149(255)204-108(154(260)222-126)52-55-134(240)241)223-160(266)118(72-137(246)247)214-173(279)140(89(5)6)226-162(268)119(73-138(248)249)215-176(282)143(92(11)233)229-161(267)114(67-94-35-17-14-18-36-94)209-153(259)107-51-54-130(236)196-107/h13-20,33-38,46-49,74,87-92,100-128,139-143,192,230-234H,21-32,39-45,50-73,75-86,180-184H2,1-12H3,(H2,185,235)(H,193,250)(H,194,251)(H,195,252)(H,196,236)(H,197,238)(H,198,237)(H,199,264)(H,200,253)(H,201,269)(H,202,274)(H,203,272)(H,204,255)(H,205,273)(H,206,262)(H,207,265)(H,208,261)(H,209,259)(H,210,275)(H,211,276)(H,212,256)(H,213,278)(H,214,279)(H,215,282)(H,216,263)(H,217,277)(H,218,280)(H,219,254)(H,220,257)(H,221,258)(H,222,260)(H,223,266)(H,224,281)(H,225,239)(H,226,268)(H,227,271)(H,228,270)(H,229,267)(H,240,241)(H,242,243)(H,244,245)(H,246,247)(H,248,249)(H,283,284)(H4,186,187,190)(H4,188,189,191)

InChIKey

VDNVVLOBNHIMQA-UHFFFAOYSA-N

Links

Gene (5 / 17)

⊖ Less

Source	Type	Gene	Other
CTD	decreases(phosphorylation)	AKT1	C064719
CTD	decreases(reaction)	AKT1	C064719
CTD	affects(reaction)	AKT1	C064719
CTD	decreases(phosphorylation)	CREB1	C064719
CTD	decreases(reaction)	CREB1	C064719
CTD	affects(reaction)	CREB1	C064719
CTD	decreases(reaction)	KCNMA1	C064719
CTD	increases(activity)	KCNMA1	C064719
CTD	decreases(activity)	KCNMA1	C064719
CTD	decreases(reaction)	PTEN	C064719
CTD	increases(phosphorylation)	PTEN	C064719
CTD	affects(reaction)	PTEN	C064719
CTD	decreases(phosphorylation)	PTEN	C064719
CTD	decreases(phosphorylation)	TNF	C064719
CTD	decreases(reaction)	TNF	C064719
CTD	increases(phosphorylation)	TNF	C064719
CTD	affects(reaction)	TNF	C064719

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