Tan Lab | DSigDB

Gene Set: D4 : CTD - Methyldopa

Collection

D4 : CTD

Chemical Name

Methyldopa ( From PubChem : METHYLDOPA )

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

Molecular Weight	Hydrogen Bond Donor Count	Hydrogen Bond Acceptor Count	cLogP	Lipinski Rule
211.215 g/mol	4	5	1.1426	True

Structure

InChI

InChI=1S/C10H13NO4/c1-10(11,9(14)15)5-6-2-3-7(12)8(13)4-6/h2-4,12-13H,5,11H2,1H3,(H,14,15)/t10-/m0/s1

InChIKey

CJCSPKMFHVPWAR-JTQLQIEISA-N

Links

Gene (40 / 69)

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Source	Type	Unit	Value	Gene	PMID	Other
CTD	increases(methylation)			COMT		D008750
CTD	decreases(activity)			COMT		D008750
CTD	decreases(activity)			GSTA1		D008750
CTD	decreases(activity)			GSTM1		D008750
CTD	decreases(activity)			GSTP1		D008750
CTD	increases(expression)			PRL		D008750
CTD	increases(secretion)			PRL		D008750
PubChem	None	uM		ABCB1	-	GI(Protien) :
PubChem	Potency	uM	5.623	ALDH1A1	-	GI(Protien) :
PubChem	Potency	uM	17.783	ALDH1A1	-	GI(Protien) :
PubChem	None	uM		ALPL	-	GI(Protien) :
PubChem	Potency	uM	15.849	BAZ2B	-	GI(Protien) :
PubChem	Potency	uM	17.783	BLM	-	GI(Protien) :
PubChem	AC50_uM	uM	39.230	CASP6	-	GI(Protien) :
PubChem	None	uM		CASP6	-	GI(Protien) :
PubChem	Potency	uM	1.889	CBX1	-	GI(Protien) :
PubChem	Potency	uM	0.447	EHMT2	-	GI(Protien) :
PubChem	Potency	uM	1.413	EHMT2	-	GI(Protien) :
PubChem	Potency	uM	2.512	EHMT2	-	GI(Protien) :
PubChem	None	uM		ESR2	-	GI(Protien) :
PubChem	Potency	uM	0.844	FEN1	-	GI(Protien) :
PubChem	Potency	uM	0.844	FEN1	-	GI(Protien) :
PubChem	None	uM		GAPDH	-	GI(Protien) :
PubChem	Potency	uM	2.818	GMNN	-	GI(Protien) :
PubChem	Potency	uM	1.889	MPHOSPH8	-	GI(Protien) :
PubChem	IC50	uM		MPI	-	GI(Protien) :
PubChem	Potency	uM	1.122	POLB	-	GI(Protien) :
PubChem	Potency	uM	1.413	POLB	-	GI(Protien) :
PubChem	Potency	uM	2.239	POLI	-	GI(Protien) :
PubChem	Potency	uM	2.512	POLI	-	GI(Protien) :
PubChem	Potency	uM	25.119	POLI	-	GI(Protien) :
PubChem	Potency	uM	2.668	POLK	-	GI(Protien) :
PubChem	Potency	uM	8.912	POLK	-	GI(Protien) :
PubChem	None	uM		PSIP1	-	GI(Protien) :
PubChem	Potency	uM	26.680	RGS4	-	GI(Protien) :
PubChem	IC50	uM		SAE1	-	GI(Protien) :
PubChem	Potency	uM	11.220	TDP1	-	GI(Protien) :
PubChem	None	uM		TRA	-	GI(Protien) :
PubChem	IC50	uM		UBA2	-	GI(Protien) :
PubChem	IC50	uM		UBE2I	-	GI(Protien) :
PubChem	None	uM		UHRF1	-	GI(Protien) :
ChEMBL	Potency	nM	17782.800	ALDH1A1	-	Target : CHEMBL3577
ChEMBL	Potency	nM	5623.400	ALDH1A1	-	Target : CHEMBL3577
ChEMBL	Potency	nM	7943.300	APEX1	-	Target : CHEMBL5619
ChEMBL	Potency	nM	1584.900	APEX1	-	Target : CHEMBL5619
ChEMBL	Potency	nM	1122.000	APEX1	-	Target : CHEMBL5619
ChEMBL	Potency	nM	15848.900	BAZ2B	-	Target : CHEMBL1741220
ChEMBL	Potency	nM	17782.800	BLM	-	Target : CHEMBL1293237
ChEMBL	Potency	nM	1888.800	CBX1	-	Target : CHEMBL1741193
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
ChEMBL	Potency	nM	1412.500	EHMT2	-	Target : CHEMBL6032
ChEMBL	Potency	nM	446.700	EHMT2	-	Target : CHEMBL6032
ChEMBL	Potency	nM	2511.900	EHMT2	-	Target : CHEMBL6032
ChEMBL	Potency	nM	843.700	FEN1	-	Target : CHEMBL5027
ChEMBL	Potency	nM	125.900	HSD17B10	-	Target : CHEMBL4159
ChEMBL	Potency	nM	19952.600	KDM4A	-	Target : CHEMBL5896
ChEMBL	Potency	nM	3981.100	KDM4E	-	Target : CHEMBL1293226
ChEMBL	Potency	nM	15848.900	KDM4E	-	Target : CHEMBL1293226
ChEMBL	Potency	nM	1888.800	MPHOSPH8	-	Target : CHEMBL1741210
ChEMBL	Potency	nM	1122.000	POLB	-	Target : CHEMBL2392
ChEMBL	Potency	nM	1412.500	POLB	-	Target : CHEMBL2392
ChEMBL	Potency	nM	2238.700	RECQL	-	Target : CHEMBL1293236
ChEMBL	Potency	nM	1412.500	RECQL	-	Target : CHEMBL1293236
ChEMBL	Potency	nM	3548.100	RECQL	-	Target : CHEMBL1293236

Download gene sets

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