Tan Lab | DSigDB

Gene Set: D4 : TTD - [D-4Aph(CO-NH-(C2H4O)2-C2H5)6]degarelix

Collection

D4 : TTD

Chemical Name

[D-4Aph(CO-NH-(C2H4O)2-C2H5)6]degarelix ( From PubChem : CHEMBL438239 )

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
1748.42 g/mol	17	36	7.9404	False(0/4)

Structure

InChI

InChI=1S/C88H115ClN18O18/c1-8-124-39-40-125-38-36-93-87(122)97-64-32-25-57(26-33-64)44-69(80(115)99-66(41-51(2)3)78(113)98-65(18-11-12-35-92-52(4)5)86(121)107-37-14-19-74(107)85(120)94-53(6)76(90)111)101-82(117)70(45-56-23-30-63(31-24-56)96-77(112)72-48-75(110)106-88(123)105-72)103-84(119)73(50-108)104-83(118)71(47-59-15-13-34-91-49-59)102-81(116)68(43-55-21-28-62(89)29-22-55)100-79(114)67(95-54(7)109)46-58-20-27-60-16-9-10-17-61(60)42-58/h9-10,13,15-17,20-34,42,49,51-53,65-74,92,108H,8,11-12,14,18-19,35-41,43-48,50H2,1-7H3,(H2,90,111)(H,94,120)(H,95,109)(H,96,112)(H,98,113)(H,99,115)(H,100,114)(H,101,117)(H,102,116)(H,103,119)(H,104,118)(H2,93,97,122)(H2,105,106,110,123)/t53-,65+,66+,67-,68-,69-,70+,71-,72+,73+,74+/m1/s1

InChIKey

LXDBVFUKTKJYLL-UODKESISSA-N

Links

Gene (1 / 1)

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

Download gene sets

gmt, text, Detailed text

Contact us
Tan Lab , Mail Stop 8117
12801 East 17th Avenue
Division of Medical Oncology , Department of Medicine
University of Colorado School of Medicine
Aurora, CO 80045, USA

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