Tan Lab | DSigDB

Gene Set: D4 : CTD - 3-methoxycatechol

Collection

D4 : CTD

Chemical Name

3-methoxycatechol ( From PubChem : 3-METHOXYCATECHOL )

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
140.137 g/mol	2	3	1.1064	True

Structure

InChI

InChI=1S/C7H8O3/c1-10-6-4-2-3-5(8)7(6)9/h2-4,8-9H,1H3

InChIKey

LPYUENQFPVNPHY-UHFFFAOYSA-N

Links

Gene (18 / 33)

⊖ Less

Source	Type	Unit	Value	Gene	PMID	Other
CTD	increases(methylation)			COMT		C066344
PubChem	Potency-Replicate_1	uM	31.826	AHR	-	GI(Protien) :
PubChem	AhR Potency (uM)	uM	40.066	AHR	-	GI(Protien) :
PubChem	Potency	uM	0.447	ALDH1A1	-	GI(Protien) :
PubChem	Potency	uM	1.585	ALDH1A1	-	GI(Protien) :
PubChem	Potency	uM	0.794	ALOX15	-	GI(Protien) :
PubChem	Potency-Replicate_1	uM	35.709	CYP19A1	-	GI(Protien) :
PubChem	Potency-Replicate_1	uM	50.721	ESR1	-	GI(Protien) :
PubChem	Ratio Potency (uM)	uM	54.767	ESR1	-	GI(Protien) :
PubChem	None	uM		GAPDH	-	GI(Protien) :
PubChem	Potency	uM	15.849	HPGD	-	GI(Protien) :
PubChem	Ratio Potency (uM)	uM	47.141	HSPB1	-	GI(Protien) :
PubChem	Potency	uM	14.125	MAPT	-	GI(Protien) :
PubChem	Potency	uM	25.119	MAPT	-	GI(Protien) :
PubChem	Ratio Potency (uM)	uM	4.495	NFE2L2	-	GI(Protien) :
PubChem	Potency	uM	3.162	POLK	-	GI(Protien) :
PubChem	Ratio Potency (uM)	uM	25.511	PPARG	-	GI(Protien) :
PubChem	Potency	uM	3.663	TDP1	-	GI(Protien) :
PubChem	Potency	uM	4.611	TDP1	-	GI(Protien) :
PubChem	Potency	uM	5.012	TP53	-	GI(Protien) :
PubChem	Potency	uM	6.310	TP53	-	GI(Protien) :
PubChem	Potency	uM	50.119	VDR	-	GI(Protien) :
ChEMBL	Potency	nM	446.700	ALDH1A1	-	Target : CHEMBL3577
ChEMBL	Potency	nM	1584.600	ALDH1A1	-	Target : CHEMBL3577
ChEMBL	Potency	nM	794.300	ALOX15	-	Target : CHEMBL2903
ChEMBL	Potency	nM	15848.900	HPGD	-	Target : CHEMBL1293255
ChEMBL	Potency	nM	3162.300	HSD17B10	-	Target : CHEMBL4159
ChEMBL	Potency	nM	7943.300	KDM4E	-	Target : CHEMBL1293226
ChEMBL	Potency	nM	14125.400	MAPT	-	Target : CHEMBL1293224
ChEMBL	Potency	nM	25118.900	MAPT	-	Target : CHEMBL1293224
ChEMBL	Potency	nM	11220.200	MAPT	-	Target : CHEMBL1293224
ChEMBL	Potency	nM	5011.900	TP53	-	Target : CHEMBL4096
ChEMBL	Potency	nM	6309.600	TP53	-	Target : CHEMBL4096

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