Tan Lab | DSigDB

Gene Set: D4 : CTD - Leuprolide

Collection

D4 : CTD

Chemical Name

Leuprolide ( From PubChem : ENANTONE (TN) )

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
1209.4 g/mol	15	26	3.3564	False(1/4)

Structure

InChI

InChI=1S/C59H84N16O12/c1-6-63-57(86)48-14-10-22-75(48)58(87)41(13-9-21-64-59(60)61)68-51(80)42(23-32(2)3)69-52(81)43(24-33(4)5)70-53(82)44(25-34-15-17-37(77)18-16-34)71-56(85)47(30-76)74-54(83)45(26-35-28-65-39-12-8-7-11-38(35)39)72-55(84)46(27-36-29-62-31-66-36)73-50(79)40-19-20-49(78)67-40/h7-8,11-12,15-18,28-29,31-33,40-48,65,76-77H,6,9-10,13-14,19-27,30H2,1-5H3,(H,62,66)(H,63,86)(H,67,78)(H,68,80)(H,69,81)(H,70,82)(H,71,85)(H,72,84)(H,73,79)(H,74,83)(H4,60,61,64)

InChIKey

GFIJNRVAKGFPGQ-UHFFFAOYSA-N

Links

Gene (18 / 32)

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Source	Type	Unit	Gene	PMID	Other
CTD	decreases(reaction)		AKT1		D016729
CTD	increases(phosphorylation)		AKT1		D016729
CTD	increases(expression)		BAX		D016729
CTD	increases(expression)		CASP3		D016729
CTD	increases(expression)		CASP9		D016729
CTD	decreases(expression)		CLDN4		D016729
CTD	decreases(expression)		CLDN8		D016729
CTD	affects(localization)		CYCS		D016729
CTD	affects(binding)		IGF1		D016729
CTD	affects(localization)		IGF1		D016729
CTD	decreases(reaction)		IGF1		D016729
CTD	increases(expression)		IGF1		D016729
CTD	increases(phosphorylation)		IGF1		D016729
CTD	decreases(expression)		IGF1R		D016729
CTD	decreases(phosphorylation)		IGF1R		D016729
CTD	affects(binding)		ITGA5		D016729
CTD	affects(localization)		ITGA5		D016729
CTD	decreases(reaction)		ITGA5		D016729
CTD	increases(expression)		ITGA5		D016729
CTD	affects(binding)		ITGB3		D016729
CTD	affects(localization)		ITGB3		D016729
CTD	decreases(reaction)		ITGB3		D016729
CTD	increases(expression)		ITGB3		D016729
CTD	decreases(expression)		LHB		D016729
CTD	decreases(reaction)		SLC22A2		D016729
CTD	increases(uptake)		SLC22A2		D016729
ChEMBL	Inhibition	-	CYP1A2	-	Target : CHEMBL3356
ChEMBL	Inhibition	-	CYP2C19	-	Target : CHEMBL3622
ChEMBL	Inhibition	-	CYP2C9	-	Target : CHEMBL3397
ChEMBL	Inhibition	-	CYP2D6	-	Target : CHEMBL289
ChEMBL	Inhibition	-	CYP3A4	-	Target : CHEMBL340
ChEMBL	Inhibition	-	CYP3A4	-	Target : CHEMBL340

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