Tan Lab | DSigDB

Gene Set: D4 : TTD - BI-32169

Collection

D4 : TTD

Chemical Name

BI-32169 ( From PubChem : CHEMBL526383 )

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
2037.28 g/mol	22	46	0.9164	False(1/4)

Structure

InChI

InChI=1S/C95H125N23O24S2/c1-7-48(4)78-93(139)117-30-14-24-69(117)87(133)102-43-75(123)104-61(34-52-39-98-58-22-12-9-19-55(52)58)84(130)107-63(36-73(96)121)85(131)114-79(50(6)120)94(140)118-31-17-27-72(118)89(135)110-62(35-53-40-99-59-23-13-10-20-56(53)59)83(129)103-49(5)80(126)112-68(95(141)142)46-144-143-45-67-92(138)116-29-16-26-71(116)90(136)111-66(44-119)86(132)108-64(37-74(122)113-78)82(128)101-41-76(124)105-65(32-47(2)3)91(137)115-28-15-25-70(115)88(134)109-60(81(127)100-42-77(125)106-67)33-51-38-97-57-21-11-8-18-54(51)57/h8-13,18-23,38-40,47-50,60-72,78-79,97-99,119-120H,7,14-17,24-37,41-46H2,1-6H3,(H2,96,121)(H,100,127)(H,101,128)(H,102,133)(H,103,129)(H,104,123)(H,105,124)(H,106,125)(H,107,130)(H,108,132)(H,109,134)(H,110,135)(H,111,136)(H,112,126)(H,113,122)(H,114,131)(H,141,142)/t48-,49-,50+,60-,61-,62-,63-,64?,65-,66-,67?,68-,69?,70?,71?,72?,78?,79?/m0/s1

InChIKey

VXOKYTDMQDFAQT-CERLLWPQSA-N

Links

Gene (1 / 1)

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

Download gene sets

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