Tan Lab | DSigDB

Gene Set: D4 : CTD - fipexide

Collection

D4 : CTD

Chemical Name

fipexide ( From PubChem : FIPEXIDE )

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
388.845 g/mol	0	6	2.6677	True

Structure

InChI

InChI=1S/C20H21ClN2O4/c21-16-2-4-17(5-3-16)25-13-20(24)23-9-7-22(8-10-23)12-15-1-6-18-19(11-15)27-14-26-18/h1-6,11H,7-10,12-14H2

InChIKey

BFUJHVVEMMWLHC-UHFFFAOYSA-N

Links

Gene (16 / 40)

⊖ Less

Source	Type	Unit	Value	Gene	PMID	Other
CTD	increases(activity)			CASP3		C038628
CTD	increases(reaction)			CASP3		C038628
CTD	increases(activity)			CASP7		C038628
CTD	increases(reaction)			CASP7		C038628
PubChem	None	uM		CYP1A2	-	GI(Protien) :
PubChem	None	uM		CYP1A2	-	GI(Protien) :
PubChem	Potency	uM	5.012	CYP2C19	-	GI(Protien) :
PubChem	None	uM		CYP2C19	-	GI(Protien) :
PubChem	Potency	uM	0.200	CYP2D6	-	GI(Protien) :
PubChem	None	uM		CYP2D6	-	GI(Protien) :
PubChem	Potency	uM	0.631	CYP3A4	-	GI(Protien) :
PubChem	None	uM		CYP3A4	-	GI(Protien) :
PubChem	None	uM		GPR183	-	GI(Protien) :
PubChem	None	uM		GPR183	-	GI(Protien) :
PubChem	None	uM		IL1B	-	GI(Protien) :
PubChem	None	uM		LYPLA2	-	GI(Protien) :
PubChem	None	uM		LYPLA2	-	GI(Protien) :
PubChem	None	uM		ABCB1	-	GI(Protien) :
PubChem	Potency-Replicate_1	uM	48.966	AR	-	GI(Protien) :
PubChem	None	uM		CYP19A1	-	GI(Protien) :
PubChem	Potency	uM	1.585	CYP3A4	-	GI(Protien) :
PubChem	Potency-Replicate_1	uM	61.131	ESR1	-	GI(Protien) :
PubChem	ER Potency (uM)	uM	61.131	ESR1	-	GI(Protien) :
PubChem	None	uM		GNAI1	-	GI(Protien) :
PubChem	None	uM		GPR183	-	GI(Protien) :
PubChem	None	uM		GPR183	-	GI(Protien) :
PubChem	None	uM		LYPLA2	-	GI(Protien) :
PubChem	None	uM		LYPLA2	-	GI(Protien) :
PubChem	Potency-Replicate_1	uM	15.355	NFE2L2	-	GI(Protien) :
PubChem	Ratio Potency (uM)	uM	15.355	NFE2L2	-	GI(Protien) :
PubChem	Potency-Replicate_1	uM	29.847	NFE2L2	-	GI(Protien) :
PubChem	None	uM		RGS12	-	GI(Protien) :
ChEMBL	AC50	nM	5011.870	CYP1A2	-	Target : CHEMBL3356
ChEMBL	AC50	nM	5011.870	CYP2C19	-	Target : CHEMBL3622
ChEMBL	Potency	nM	5011.900	CYP2C19	-	Target : CHEMBL3622
ChEMBL	AC50	nM	199.530	CYP2D6	-	Target : CHEMBL289
ChEMBL	Potency	nM	199.500	CYP2D6	-	Target : CHEMBL289
ChEMBL	Potency	nM	631.000	CYP3A4	-	Target : CHEMBL340
ChEMBL	AC50	nM	630.960	CYP3A4	-	Target : CHEMBL340
ChEMBL	Potency	nM	1584.900	CYP3A4	-	Target : CHEMBL340

Download gene sets

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