Tan Lab | DSigDB

Gene Set: D4 : CTD - cetrorelix

Collection

D4 : CTD

Chemical Name

cetrorelix ( From PubChem : CETRORELIX )

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
1431.04 g/mol	16	31	5.9323	False(0/4)

Structure

InChI

InChI=1S/C70H92ClN17O14/c1-39(2)31-52(61(94)82-51(15-9-28-77-69(73)74)68(101)88-30-10-16-58(88)67(100)79-40(3)59(72)92)83-60(93)50(14-8-29-78-70(75)102)81-63(96)54(34-43-20-25-49(91)26-21-43)86-66(99)57(38-89)87-65(98)56(36-45-11-7-27-76-37-45)85-64(97)55(33-42-18-23-48(71)24-19-42)84-62(95)53(80-41(4)90)35-44-17-22-46-12-5-6-13-47(46)32-44/h5-7,11-13,17-27,32,37,39-40,50-58,89,91H,8-10,14-16,28-31,33-36,38H2,1-4H3,(H2,72,92)(H,79,100)(H,80,90)(H,81,96)(H,82,94)(H,83,93)(H,84,95)(H,85,97)(H,86,99)(H,87,98)(H4,73,74,77)(H3,75,78,102)/t40-,50-,51+,52+,53-,54+,55-,56-,57+,58+/m1/s1

InChIKey

SBNPWPIBESPSIF-MHWMIDJBSA-N

Links

Gene (43 / 68)

⊖ Less

Source	Type	Gene	Other
CTD	decreases(activity)	ABCB11	C062876
CTD	affects(cotreatment)	APOE	C062876
CTD	decreases(expression)	APOE	C062876
CTD	decreases(expression)	BCL2	C062876
CTD	decreases(expression)	BCL2L1	C062876
CTD	increases(activity)	CASP3	C062876
CTD	increases(expression)	CDKN1A	C062876
CTD	affects(cotreatment)	CHGA	C062876
CTD	decreases(expression)	CHGA	C062876
CTD	decreases(expression)	CLCF1	C062876
CTD	affects(cotreatment)	CST9L	C062876
CTD	increases(expression)	CST9L	C062876
CTD	decreases(expression)	CXCL12	C062876
CTD	affects(cotreatment)	CYB5A	C062876
CTD	decreases(expression)	CYB5A	C062876
CTD	affects(cotreatment)	CYP11A1	C062876
CTD	decreases(expression)	CYP11A1	C062876
CTD	affects(cotreatment)	CYP17A1	C062876
CTD	decreases(expression)	CYP17A1	C062876
CTD	affects(cotreatment)	DDR1	C062876
CTD	increases(expression)	DDR1	C062876
CTD	affects(cotreatment)	DHCR24	C062876
CTD	decreases(expression)	DHCR24	C062876
CTD	affects(cotreatment)	DPEP3	C062876
CTD	decreases(expression)	DPEP3	C062876
CTD	decreases(expression)	FSHB	C062876
CTD	affects(cotreatment)	GSTA2	C062876
CTD	decreases(expression)	GSTA2	C062876
CTD	affects(cotreatment)	HMGCS2	C062876
CTD	decreases(expression)	HMGCS2	C062876
CTD	affects(cotreatment)	HSD17B6	C062876
CTD	decreases(expression)	HSD17B6	C062876
CTD	decreases(expression)	IGF1	C062876
CTD	decreases(expression)	IL6	C062876
CTD	affects(cotreatment)	INSL3	C062876
CTD	decreases(expression)	INSL3	C062876
CTD	decreases(expression)	LHB	C062876
CTD	decreases(phosphorylation)	MAPK1	C062876
CTD	decreases(phosphorylation)	MAPK3	C062876
CTD	affects(cotreatment)	MSMO1	C062876
CTD	decreases(expression)	MSMO1	C062876
CTD	affects(cotreatment)	PAPSS2	C062876
CTD	decreases(expression)	PAPSS2	C062876
CTD	affects(cotreatment)	PGRMC1	C062876
CTD	decreases(expression)	PGRMC1	C062876
CTD	affects(cotreatment)	PROK1	C062876
CTD	decreases(expression)	PROK1	C062876
CTD	affects(cotreatment)	PRPS2	C062876
CTD	decreases(expression)	PRPS2	C062876
CTD	decreases(activity)	RELA	C062876
CTD	decreases(phosphorylation)	RELA	C062876
CTD	affects(cotreatment)	RHOB	C062876
CTD	decreases(expression)	RHOB	C062876
CTD	affects(cotreatment)	STAR	C062876
CTD	decreases(expression)	STAR	C062876
CTD	decreases(phosphorylation)	STAT3	C062876
CTD	affects(cotreatment)	SYCP1	C062876
CTD	decreases(expression)	SYCP1	C062876
CTD	affects(cotreatment)	TAF4B	C062876
CTD	decreases(expression)	TAF4B	C062876
CTD	affects(cotreatment)	TEX19	C062876
CTD	decreases(expression)	TEX19	C062876
CTD	decreases(expression)	TGFB1	C062876
CTD	decreases(expression)	TNFSF13	C062876
CTD	increases(expression)	TP53	C062876
CTD	decreases(expression)	VEGFA	C062876
CTD	affects(cotreatment)	WISP2	C062876
CTD	decreases(expression)	WISP2	C062876

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