Tan Lab | DSigDB

Gene Set: D4 : CTD - Omeprazole

Collection

D4 : CTD

Chemical Name

Omeprazole ( From PubChem : OMEPRAZOLE )

FDA	NPC	WHO	Indian	Australia	China	Traditional Herbal	Clinical Trail
Approved	Not	Not	Not	Not	Not	Not	Not

Molecular Weight	Hydrogen Bond Donor Count	Hydrogen Bond Acceptor Count	cLogP	Lipinski Rule
345.416 g/mol	1	5	3.7654	True

Structure

InChI

InChI=1S/C17H19N3O3S/c1-10-8-18-15(11(2)16(10)23-4)9-24(21)17-19-13-6-5-12(22-3)7-14(13)20-17/h5-8H,9H2,1-4H3,(H,19,20)/t24-/m0/s1

InChIKey

SUBDBMMJDZJVOS-DEOSSOPVSA-N

Links

Gene (65 / 174)

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Source	Type	Unit	Value	Gene	PMID	Other
CTD	increases(expression)			ABCA1		D009853
CTD	decreases(activity)			ABCB11		D009853
CTD	decreases(expression)			ABCB4		D009853
CTD	increases(expression)			ABCG2		D009853
CTD	decreases(expression)			ADH1C		D009853
CTD	decreases(reaction)			AHR		D009853
CTD	increases(activity)			AHR		D009853
CTD	affects(response to substance)			AHR		D009853
CTD	increases(expression)			AHR		D009853
CTD	decreases(reaction)			AHR		D009853
CTD	increases(expression)			AHR		D009853
CTD	affects(reaction)			AHR		D009853
CTD	affects(binding)			AHR		D009853
CTD	increases(activity)			AHR		D009853
CTD	affects(binding)			AHR		D009853
CTD	increases(reaction)			AHR		D009853
CTD	increases(activity)			AHR		D009853
CTD	decreases(reaction)			AHR		D009853
CTD	increases(activity)			AHR		D009853
CTD	increases(expression)			ALDH1A3		D009853
CTD	increases(expression)			ALDH3A1		D009853
CTD	affects(binding)			ARNT		D009853
CTD	increases(reaction)			ARNT		D009853
CTD	affects(reaction)			BMX		D009853
CTD	increases(activity)			BMX		D009853
CTD	increases(activity)			CASP3		D009853
CTD	increases(cleavage)			CASP3		D009853
CTD	increases(cleavage)			CASP8		D009853
CTD	affects(cotreatment)			CCKBR		D009853
CTD	increases(expression)			CCKBR		D009853
CTD	affects(response to substance)			CYP1A1		D009853
CTD	increases(expression)			CYP1A1		D009853
CTD	decreases(reaction)			CYP1A1		D009853
CTD	increases(expression)			CYP1A1		D009853
CTD	affects(binding)			CYP1A1		D009853
CTD	increases(reaction)			CYP1A1		D009853
CTD	increases(activity)			CYP1A1		D009853
CTD	increases(expression)			CYP1A1		D009853
CTD	increases(expression)			CYP1A1		D009853
CTD	affects(response to substance)			CYP1A2		D009853
CTD	increases(expression)			CYP1A2		D009853
CTD	decreases(activity)			CYP1A2		D009853
CTD	increases(activity)			CYP1A2		D009853
CTD	increases(activity)			CYP1A2		D009853
CTD	increases(activity)			CYP1A2		D009853
CTD	increases(expression)			CYP1A2		D009853
CTD	increases(expression)			CYP1A2		D009853
CTD	increases(expression)			CYP1A2		D009853
CTD	affects(binding)			CYP1B1		D009853
CTD	increases(reaction)			CYP1B1		D009853
CTD	increases(expression)			CYP1B1		D009853
CTD	increases(activity)			CYP2B6		D009853
CTD	increases(expression)			CYP2B6		D009853
CTD	decreases(metabolic processing)			CYP2C19		D009853
CTD	affects(metabolic processing)			CYP2C19		D009853
CTD	increases(hydroxylation)			CYP2C19		D009853
CTD	increases(metabolic processing)			CYP2C19		D009853
CTD	decreases(methylation)			CYP2C19		D009853
CTD	decreases(reaction)			CYP2C19		D009853
CTD	decreases(reaction)			CYP2C19		D009853
CTD	increases(hydroxylation)			CYP2C19		D009853
CTD	decreases(reaction)			CYP2C19		D009853
CTD	increases(metabolic processing)			CYP2C19		D009853
CTD	decreases(reaction)			CYP2C19		D009853
CTD	increases(oxidation)			CYP2C19		D009853
CTD	decreases(activity)			CYP2C19		D009853
CTD	decreases(activity)			CYP2C19		D009853
CTD	decreases(chemical synthesis)			CYP2C19		D009853
CTD	decreases(reaction)			CYP2C9		D009853
CTD	increases(hydroxylation)			CYP2C9		D009853
CTD	increases(activity)			CYP2E1		D009853
CTD	increases(expression)			CYP2E1		D009853
CTD	affects(metabolic processing)			CYP3A4		D009853
CTD	increases(metabolic processing)			CYP3A4		D009853
CTD	affects(reaction)			CYP3A4		D009853
CTD	increases(expression)			CYP3A4		D009853
CTD	decreases(reaction)			CYP3A4		D009853
CTD	increases(oxidation)			CYP3A4		D009853
CTD	increases(activity)			CYP3A4		D009853
CTD	increases(expression)			CYP3A4		D009853
CTD	increases(activity)			CYP3A4		D009853
CTD	increases(expression)			CYP3A4		D009853
CTD	increases(expression)			CYP3A4		D009853
CTD	increases(expression)			CYP3A4		D009853
CTD	increases(expression)			CYP3A5		D009853
CTD	increases(expression)			CYP3A7		D009853
CTD	affects(binding)			EP300		D009853
CTD	increases(reaction)			EP300		D009853
CTD	increases(activity)			HMOX1		D009853
CTD	increases(expression)			HMOX1		D009853
CTD	affects(cotreatment)			IER3		D009853
CTD	increases(expression)			IER3		D009853
CTD	affects(cotreatment)			IFNG		D009853
CTD	decreases(reaction)			IFNG		D009853
CTD	increases(expression)			IFNG		D009853
CTD	decreases(reaction)			MAPK14		D009853
CTD	increases(phosphorylation)			MAPK14		D009853
CTD	affects(binding)			NCOA1		D009853
CTD	increases(reaction)			NCOA1		D009853
CTD	affects(reaction)			NR1I2		D009853
CTD	increases(expression)			NR1I2		D009853
CTD	increases(activity)			NR1I2		D009853
CTD	increases(expression)			NR1I2		D009853
CTD	increases(cleavage)			PARP1		D009853
CTD	increases(expression)			PRL		D009853
CTD	decreases(reaction)			SLC22A2		D009853
CTD	increases(uptake)			SLC22A2		D009853
CTD	increases(expression)			SLCO1A2		D009853
CTD	affects(cotreatment)			TNF		D009853
CTD	decreases(reaction)			TNF		D009853
CTD	increases(expression)			TNF		D009853
CTD	increases(expression)			UGT1A1		D009853
CTD	increases(expression)			UGT1A10		D009853
CTD	increases(expression)			UGT1A3		D009853
CTD	increases(expression)			UGT1A4		D009853
CTD	increases(expression)			UGT1A5		D009853
CTD	increases(expression)			UGT1A6		D009853
CTD	increases(expression)			UGT1A7		D009853
CTD	increases(expression)			UGT1A8		D009853
CTD	increases(expression)			UGT1A9		D009853
PubChem	None	uM		ABCB1	-	GI(Protien) :
PubChem	AhR Potency (uM)	uM	21.132	AHR	-	GI(Protien) :
PubChem	AhR Potency (uM)	uM	22.264	AHR	-	GI(Protien) :
PubChem	Potency-Replicate_1	uM	47.966	AHR	-	GI(Protien) :
PubChem	AR Potency (uM)	uM	33.492	AR	-	GI(Protien) :
PubChem	Potency	uM	31.623	BAZ2B	-	GI(Protien) :
PubChem	Potency	uM	14.125	CBX1	-	GI(Protien) :
PubChem	None	uM		CHRM4	-	GI(Protien) :
PubChem	Potency	uM	2.512	CYP2C19	-	GI(Protien) :
PubChem	None	uM		CYP2C19	-	GI(Protien) :
PubChem	Potency	uM	10.000	CYP3A4	-	GI(Protien) :
PubChem	None	uM		CYP3A4	-	GI(Protien) :
PubChem	Potency	uM	1.413	EHMT2	-	GI(Protien) :
PubChem	Potency	uM	1.585	EHMT2	-	GI(Protien) :
PubChem	None	uM		GFER	-	GI(Protien) :
PubChem	Potency	uM	28.184	HPGD	-	GI(Protien) :
PubChem	Ratio Potency (uM)	uM	30.529	HSPB1	-	GI(Protien) :
PubChem	Potency-Replicate_1	uM	48.386	HSPB1	-	GI(Protien) :
PubChem	Potency	uM	22.387	MAPT	-	GI(Protien) :
PubChem	Potency	uM	31.623	MAPT	-	GI(Protien) :
PubChem	IC50	uM	3.145	MCL1	-	GI(Protien) :
PubChem	None	uM		MCL1	-	GI(Protien) :
PubChem	IC50	uM		MPI	-	GI(Protien) :
PubChem	IC50	uM		MPI	-	GI(Protien) :
PubChem	Ratio Potency (uM)	uM	12.520	NFE2L2	-	GI(Protien) :
PubChem	Potency-Replicate_1	uM	16.784	NFE2L2	-	GI(Protien) :
PubChem	Potency-Replicate_1	uM	17.019	NFE2L2	-	GI(Protien) :
PubChem	Ratio Potency (uM)	uM	20.334	NFE2L2	-	GI(Protien) :
PubChem	Potency	uM	27.306	NFE2L2	-	GI(Protien) :
PubChem	None	uM		NR3C1	-	GI(Protien) :
PubChem	Potency	uM	23.778	PLK1	-	GI(Protien) :
PubChem	None	uM		PPARG	-	GI(Protien) :
PubChem	None	uM		TRHR	-	GI(Protien) :
PubChem	Potency	uM	2.668	VDR	-	GI(Protien) :
PubChem	Potency	uM	39.811	VDR	-	GI(Protien) :
PubChem	Potency	uM	89.125	VDR	-	GI(Protien) :
ChEMBL	Potency	nM	31622.800	BAZ2B	-	Target : CHEMBL1741220
ChEMBL	Inhibition	-		CYP1A2	-	Target : CHEMBL3356
ChEMBL	AC50	nM	2511.890	CYP2C19	-	Target : CHEMBL3622
ChEMBL	Potency	nM	2511.900	CYP2C19	-	Target : CHEMBL3622
ChEMBL	Inhibition	-		CYP2C9	-	Target : CHEMBL3397
ChEMBL	Inhibition	-		CYP2D6	-	Target : CHEMBL289
ChEMBL	AC50	nM	10000.000	CYP3A4	-	Target : CHEMBL340
ChEMBL	Potency	nM	10000.000	CYP3A4	-	Target : CHEMBL340
ChEMBL	Inhibition	-		CYP3A4	-	Target : CHEMBL340
ChEMBL	Potency	nM	1584.900	EHMT2	-	Target : CHEMBL6032
ChEMBL	Potency	nM	1412.500	EHMT2	-	Target : CHEMBL6032
ChEMBL	Potency	nM	28183.800	HPGD	-	Target : CHEMBL1293255
ChEMBL	Potency	nM	28183.800	KDM4A	-	Target : CHEMBL5896
ChEMBL	Potency	nM	11220.200	KDM4E	-	Target : CHEMBL1293226
ChEMBL	Potency	nM	25118.900	KDM4E	-	Target : CHEMBL1293226
ChEMBL	Potency	nM	31622.800	MAPT	-	Target : CHEMBL1293224
ChEMBL	Potency	nM	22387.200	MAPT	-	Target : CHEMBL1293224
ChEMBL	IC50	nM	3144.810	MCL1	-	Target : CHEMBL4361

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