Tan Lab | DSigDB

Gene Set: D4 : TTD - GwTLNSAGYLLGPHAVGNHRSFSDKNGLTS-CONH2

Collection

D4 : TTD

Chemical Name

GwTLNSAGYLLGPHAVGNHRSFSDKNGLTS-CONH2 ( From PubChem : CHEMBL592170 )

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
3156.43 g/mol	48	82	-2.252	False(1/4)

Structure

InChI

InChI=1S/C139H211N43O42/c1-65(2)38-84(166-122(208)86(40-67(5)6)167-124(210)88(43-75-31-33-79(189)34-32-75)162-106(194)55-152-115(201)70(11)158-132(218)98(60-184)177-128(214)95(49-104(144)192)171-123(209)87(41-68(7)8)174-137(223)112(72(13)187)181-131(217)90(160-105(193)51-141)44-76-52-151-81-27-19-18-26-80(76)81)117(203)155-58-109(197)182-37-23-30-101(182)135(221)173-91(45-77-53-148-63-156-77)121(207)159-71(12)116(202)179-111(69(9)10)136(222)154-57-108(196)163-94(48-103(143)191)127(213)169-92(46-78-54-149-64-157-78)126(212)165-83(29-22-36-150-139(146)147)120(206)176-99(61-185)133(219)168-89(42-74-24-16-15-17-25-74)125(211)178-100(62-186)134(220)172-96(50-110(198)199)129(215)164-82(28-20-21-35-140)119(205)170-93(47-102(142)190)118(204)153-56-107(195)161-85(39-66(3)4)130(216)180-113(73(14)188)138(224)175-97(59-183)114(145)200/h15-19,24-27,31-34,52-54,63-73,82-101,111-113,151,183-189H,20-23,28-30,35-51,55-62,140-141H2,1-14H3,(H2,142,190)(H2,143,191)(H2,144,192)(H2,145,200)(H,148,156)(H,149,157)(H,152,201)(H,153,204)(H,154,222)(H,155,203)(H,158,218)(H,159,207)(H,160,193)(H,161,195)(H,162,194)(H,163,196)(H,164,215)(H,165,212)(H,166,208)(H,167,210)(H,168,219)(H,169,213)(H,170,205)(H,171,209)(H,172,220)(H,173,221)(H,174,223)(H,175,224)(H,176,206)(H,177,214)(H,178,211)(H,179,202)(H,180,216)(H,181,217)(H,198,199)(H4,146,147,150)/t70-,71-,72+,73+,82-,83-,84-,85-,86-,87-,88-,89-,90-,91-,92-,93-,94-,95-,96-,97-,98-,99-,100-,101-,111-,112-,113-/m0/s1

InChIKey

VYHIHGYPAVCHDV-RUKUCZSXSA-N

Links

Gene (2 / 2)

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Source	Type	Unit	Value	Gene	PMID	Assay	Other
TTD	Inhibitor			GALR1			Research target
TTD	Inhibitor			GALR2			Research target

Download gene sets

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