Tan Lab | DSigDB

Gene Set: D4 : CTD - rifapentine

Collection

D4 : CTD

Chemical Name

rifapentine ( From PubChem : RIFAPENTINE )

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
877.031 g/mol	6	16	5.3345	False(0/4)

Structure

InChI

InChI=1S/C47H64N4O12/c1-24-13-12-14-25(2)46(59)49-37-32(23-48-51-20-18-50(19-21-51)31-15-10-11-16-31)41(56)34-35(42(37)57)40(55)29(6)44-36(34)45(58)47(8,63-44)61-22-17-33(60-9)26(3)43(62-30(7)52)28(5)39(54)27(4)38(24)53/h12-14,17,22-24,26-28,31,33,38-39,43,48,53-55,57H,10-11,15-16,18-21H2,1-9H3,(H,49,59)/b13-12+,22-17+,25-14-,32-23+/t24-,26+,27+,28+,33-,38-,39+,43+,47-/m0/s1

InChIKey

RISDZDVHYCURHD-QLWTZYDESA-N

Links

Gene (10 / 19)

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Source	Type	Unit	Value	Gene	PMID	Other
CTD	affects(reaction)			AADAC		C018421
CTD	increases(expression)			AADAC		C018421
CTD	decreases(acetylation)			AADAC		C018421
CTD	decreases(reaction)			AADAC		C018421
CTD	decreases(activity)			ABCB11		C018421
CTD	affects(reaction)			CYP3A4		C018421
CTD	increases(expression)			CYP3A4		C018421
CTD	increases(expression)			CYP3A4		C018421
PubChem	Ratio Potency (uM)	uM	20.511	AR	-	GI(Protien) :
PubChem	Potency-Replicate_1	uM	21.314	AR	-	GI(Protien) :
PubChem	Potency-Replicate_1	uM	26.603	AR	-	GI(Protien) :
PubChem	Potency-Replicate_1	uM	33.492	CYP19A1	-	GI(Protien) :
PubChem	Potency-Replicate_1	uM	18.996	ESR1	-	GI(Protien) :
PubChem	Ratio Potency (uM)	uM	19.739	ESR1	-	GI(Protien) :
PubChem	Potency-Replicate_1	uM	21.314	NR3C1	-	GI(Protien) :
PubChem	Potency	uM	2.661	TDP1	-	GI(Protien) :
PubChem	Potency	uM	4.732	TDP1	-	GI(Protien) :
PubChem	Potency	uM	56.234	USP1	-	GI(Protien) :
PubChem	Potency	uM	11.220	VDR	-	GI(Protien) :

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