Tan Lab | DSigDB

Gene Set: D4 : CTD - Captan

Collection

D4 : CTD

Chemical Name

Captan ( From PubChem : CAPTAN )

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
300.589 g/mol	0	4	2.8514	True

Structure

InChI

InChI=1S/C9H8Cl3NO2S/c10-9(11,12)16-13-7(14)5-3-1-2-4-6(5)8(13)15/h1-2,5-6H,3-4H2/t5-,6+

InChIKey

LDVVMCZRFWMZSG-OLQVQODUSA-N

Links

Gene (22 / 54)

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Source	Type	Unit	Value	Gene	PMID	Other
CTD	affects(binding)			ESR1		D002215
CTD	decreases(activity)			GSTP1		D002215
CTD	decreases(reaction)			GSTP1		D002215
PubChem	Potency	uM	0.398	ALDH1A1	-	GI(Protien) :
PubChem	Potency	uM	0.562	ALDH1A1	-	GI(Protien) :
PubChem	Potency-Replicate_1	uM	2.414	AR	-	GI(Protien) :
PubChem	Potency-Replicate_1	uM	19.017	AR	-	GI(Protien) :
PubChem	Potency-Replicate_1	uM	26.603	AR	-	GI(Protien) :
PubChem	Potency-Replicate_1	uM	3.014	CYP19A1	-	GI(Protien) :
PubChem	Potency-Replicate_1	uM	13.333	CYP19A1	-	GI(Protien) :
PubChem	Potency	uM	12.589	CYP3A4	-	GI(Protien) :
PubChem	Potency	uM	15.849	CYP3A4	-	GI(Protien) :
PubChem	Potency	uM	1.585	EHMT2	-	GI(Protien) :
PubChem	Potency	uM	10.000	ESR1	-	GI(Protien) :
PubChem	Potency	uM	12.589	ESR1	-	GI(Protien) :
PubChem	ER Potency (uM)	uM	25.602	ESR1	-	GI(Protien) :
PubChem	Potency-Replicate_1	uM	26.603	ESR1	-	GI(Protien) :
PubChem	Potency-Replicate_1	uM	48.200	ESR1	-	GI(Protien) :
PubChem	Ratio Potency (uM)	uM		ESR1	-	GI(Protien) :
PubChem	None	uM		GALR3	-	GI(Protien) :
PubChem	Potency	uM	4.217	GMNN	-	GI(Protien) :
PubChem	Potency	uM	6.684	GMNN	-	GI(Protien) :
PubChem	None	uM		GNA15	-	GI(Protien) :
PubChem	None	uM		GNA15	-	GI(Protien) :
PubChem	Potency	uM	7.080	HPGD	-	GI(Protien) :
PubChem	Potency	uM	7.943	HPGD	-	GI(Protien) :
PubChem	Ratio Potency (uM)	uM	27.092	HSPB1	-	GI(Protien) :
PubChem	Potency	uM	14.125	HTT	-	GI(Protien) :
PubChem	Potency	uM	25.119	KCNH2		GI(Protien) :
PubChem	Potency	uM	25.119	KCNH2		GI(Protien) :
PubChem	Potency	uM	28.184	KCNH2		GI(Protien) :
PubChem	Potency	uM	28.184	KCNH2		GI(Protien) :
PubChem	Potency	uM	15.849	MAPK1	-	GI(Protien) :
PubChem	Ratio Potency (uM)	uM	23.325	NFE2L2	-	GI(Protien) :
PubChem	Potency-Replicate_1	uM	42.937	NR1H4	-	GI(Protien) :
PubChem	None	uM		PRMT1	-	GI(Protien) :
PubChem	None	uM		PRMT1	-	GI(Protien) :
PubChem	None	uM		TAAR1	-	GI(Protien) :
PubChem	None	uM		TAAR1	-	GI(Protien) :
PubChem	None	uM		TAAR1	-	GI(Protien) :
PubChem	None	uM		TAAR1	-	GI(Protien) :
PubChem	Potency	uM	0.668	TDP1	-	GI(Protien) :
PubChem	Potency	uM	0.750	TDP1	-	GI(Protien) :
PubChem	Potency	uM	3.981	VDR	-	GI(Protien) :
ChEMBL	Potency	nM	398.100	ALDH1A1	-	Target : CHEMBL3577
ChEMBL	Potency	nM	562.300	ALDH1A1	-	Target : CHEMBL3577
ChEMBL	Potency	nM	12589.300	CYP3A4	-	Target : CHEMBL340
ChEMBL	Potency	nM	15848.900	CYP3A4	-	Target : CHEMBL340
ChEMBL	Potency	nM	1584.900	EHMT2	-	Target : CHEMBL6032
ChEMBL	Potency	nM	7079.500	HPGD	-	Target : CHEMBL1293255
ChEMBL	Potency	nM	7943.300	HPGD	-	Target : CHEMBL1293255
ChEMBL	Potency	nM	79.400	HSD17B10	-	Target : CHEMBL4159
ChEMBL	Potency	nM	14125.400	HTT	-	Target : CHEMBL5514
ChEMBL	Potency	nM	15848.900	MAPK1	-	Target : CHEMBL4040

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