Tan Lab | DSigDB

Gene Set: D4 : CTD - AG-879

Collection

D4 : CTD

Chemical Name

AG-879 ( From PubChem : TYRPHOSTIN AG 879 )

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
316.461 g/mol	2	4	4.76448	True

Structure

InChI

InChI=1S/C18H24N2OS/c1-17(2,3)13-8-11(7-12(10-19)16(20)22)9-14(15(13)21)18(4,5)6/h7-9,22H,20H2,1-6H3/b16-12+

InChIKey

LCUMYVYIHXYBIA-FOWTUZBSSA-N

Links

Gene (22 / 49)

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Source	Type	Unit	Value	Gene	PMID	Other
CTD	decreases(reaction)			AHR		C081020
CTD	increases(activity)			AHR		C081020
CTD	decreases(reaction)			IL6		C081020
CTD	increases(expression)			IL6		C081020
CTD	decreases(activity)			IL6		C081020
CTD	decreases(reaction)			KLK3		C081020
CTD	increases(expression)			KLK3		C081020
PubChem	Potency	uM	2.818	ALDH1A1	-	GI(Protien) :
PubChem	Potency	uM	11.220	CBX1	-	GI(Protien) :
PubChem	None	uM		CYP1A2	-	GI(Protien) :
PubChem	None	uM		CYP1A2	-	GI(Protien) :
PubChem	Potency	uM	10.000	CYP2C19	-	GI(Protien) :
PubChem	None	uM		CYP2C19	-	GI(Protien) :
PubChem	Potency	uM	0.100	CYP2C9	-	GI(Protien) :
PubChem	None	uM		CYP2C9	-	GI(Protien) :
PubChem	Potency	uM	3.981	CYP3A4	-	GI(Protien) :
PubChem	None	uM		CYP3A4	-	GI(Protien) :
PubChem	Potency	uM	28.184	EHMT2	-	GI(Protien) :
PubChem	Potency	uM	4.467	GLS	-	GI(Protien) :
PubChem	Potency	uM	3.162	GMNN	-	GI(Protien) :
PubChem	Potency	uM	0.631	HIF1A	-	GI(Protien) :
PubChem	Potency	uM	11.220	KCNH2		GI(Protien) :
PubChem	Potency	uM	11.220	KCNH2		GI(Protien) :
PubChem	Potency	uM	11.220	MPHOSPH8	-	GI(Protien) :
PubChem	Potency	uM	10.621	RGS4	-	GI(Protien) :
PubChem	Potency	uM	0.562	TDP1	-	GI(Protien) :
PubChem	Potency	uM	0.708	TDP1	-	GI(Protien) :
PubChem	Potency	uM	4.109	TDP1	-	GI(Protien) :
PubChem	Potency	uM	5.805	TDP1	-	GI(Protien) :
PubChem	Potency	uM	10.000	THPO	-	GI(Protien) :
PubChem	Potency	uM	3.162	TSHR	-	GI(Protien) :
PubChem	Potency	uM	35.481	VDR	-	GI(Protien) :
ChEMBL	Potency	nM	2818.400	ALDH1A1	-	Target : CHEMBL3577
ChEMBL	Potency	nM	12589.300	ALOX15B	-	Target : CHEMBL2457
ChEMBL	Potency	nM	11220.200	CBX1	-	Target : CHEMBL1741193
ChEMBL	AC50	nM	12589.200	CYP1A2	-	Target : CHEMBL3356
ChEMBL	AC50	nM	10000.000	CYP2C19	-	Target : CHEMBL3622
ChEMBL	Potency	nM	10000.000	CYP2C19	-	Target : CHEMBL3622
ChEMBL	AC50	nM	100.000	CYP2C9	-	Target : CHEMBL3397
ChEMBL	Potency	nM	100.000	CYP2C9	-	Target : CHEMBL3397
ChEMBL	AC50	nM	3981.070	CYP3A4	-	Target : CHEMBL340
ChEMBL	Potency	nM	3981.100	CYP3A4	-	Target : CHEMBL340
ChEMBL	Potency	nM	28183.800	EHMT2	-	Target : CHEMBL6032
ChEMBL	Potency	nM	3162.300	GMNN	-	Target : CHEMBL1293278
ChEMBL	Potency	nM	631.000	HIF1A	-	Target : CHEMBL4261
ChEMBL	Potency	nM	12589.300	HSD17B10	-	Target : CHEMBL4159
ChEMBL	Potency	nM	11220.200	MPHOSPH8	-	Target : CHEMBL1741210
ChEMBL	Potency	nM	10000.000	THPO	-	Target : CHEMBL1293256
ChEMBL	Potency	nM	3162.300	TSHR	-	Target : CHEMBL1963

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