Tan Lab | DSigDB

Gene Set: D3 - [2-[5,8-DI(BUTAN-2-YL)-17-(1-HYDROXYETHYL)-22-[[2-[[3-HYDROXY-2-[[2-(6-METHYLHEPTANOYLAMINO)-4-(SULFOMETHYLAMINO)BUTANOYL]AMINO]BUTANOYL]AMINO]-4-(SULFOMETHYLAMINO)BUTANOYL]AMINO]-3,6,9,12,15,18,23-HEPTAOXO-11,14-BIS[2-(SULFOMETHYLAMINO)ETHYL]-1,4,7,10,13,16,19-HEPTAZACYCLOTRICOS-2-YL]ETHYLAMINO]METHANESULFONIC ACID

Collection

Chemical Name

[2-[5,8-DI(BUTAN-2-YL)-17-(1-HYDROXYETHYL)-22-[[2-[[3-HYDROXY-2-[[2-(6-METHYLHEPTANOYLAMINO)-4-(SULFOMETHYLAMINO)BUTANOYL]AMINO]BUTANOYL]AMINO]-4-(SULFOMETHYLAMINO)BUTANOYL]AMINO]-3,6,9,12,15,18,23-HEPTAOXO-11,14-BIS[2-(SULFOMETHYLAMINO)ETHYL]-1,4,7,10,13,16,19-HEPTAZACYCLOTRICOS-2-YL]ETHYLAMINO]METHANESULFONIC ACID

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
1625.88 g/mol	23	44	2.7732	False(1/4)

Structure

InChI

InChI=1S/C57H108N16O28S5/c1-9-33(5)44-55(84)68-38(16-22-59-28-103(90,91)92)48(77)66-41(19-25-62-31-106(99,100)101)53(82)72-46(35(7)74)54(83)63-26-20-42(50(79)65-40(18-24-61-30-105(96,97)98)52(81)70-45(34(6)10-2)56(85)71-44)67-49(78)39(17-23-60-29-104(93,94)95)69-57(86)47(36(8)75)73-51(80)37(15-21-58-27-102(87,88)89)64-43(76)14-12-11-13-32(3)4/h32-42,44-47,58-62,74-75H,9-31H2,1-8H3,(H,63,83)(H,64,76)(H,65,79)(H,66,77)(H,67,78)(H,68,84)(H,69,86)(H,70,81)(H,71,85)(H,72,82)(H,73,80)(H,87,88,89)(H,90,91,92)(H,93,94,95)(H,96,97,98)(H,99,100,101)

InChIKey

JGZYUDARLHNRKM-UHFFFAOYSA-N

Links

Gene (4 / 4)

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Concentration(M)	Regulation	Cell Line	Gene
0.0000112	UP	HL60	ANP32A
0.0000112	UP	HL60	CCL3
0.0000112	UP	HL60	CCL3L1
0.0000112	UP	HL60	CCL3L3

Download gene sets

Cell Line HL60 : gmt, text, Detailed text