Tan Lab | DSigDB

Gene Set: D4 : CTD - tebuconazole

Collection

D4 : CTD

Chemical Name

tebuconazole ( From PubChem : TEBUCONAZOLE )

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
307.818 g/mol	1	4	3.3415	True

Structure

InChI

InChI=1S/C16H22ClN3O/c1-15(2,3)16(21,10-20-12-18-11-19-20)9-8-13-4-6-14(17)7-5-13/h4-7,11-12,21H,8-10H2,1-3H3/t16-/m1/s1

InChIKey

Links

Gene (7 / 22)

⊖ Less

Source	Type	Unit	Value	Gene	PMID	Other
CTD	decreases(reaction)			AR		C087114
CTD	increases(expression)			AR		C087114
CTD	decreases(reaction)			AR		C087114
CTD	increases(activity)			AR		C087114
CTD	decreases(activity)			CYP19A1		C087114
CTD	decreases(reaction)			CYP1A1		C087114
CTD	increases(activity)			CYP1A1		C087114
CTD	decreases(activity)			CYP51A1		C087114
PubChem	Potency-Replicate_1	uM	44.176	AR	-	GI(Protien) :
PubChem	Potency-Replicate_1	uM	48.966	AR	-	GI(Protien) :
PubChem	Ratio Potency (uM)	uM	48.966	AR	-	GI(Protien) :
PubChem	AR Potency (uM)	uM	68.590	AR	-	GI(Protien) :
PubChem	Potency-Replicate_1	uM	27.640	CYP19A1	-	GI(Protien) :
PubChem	Potency-Replicate_1	uM	48.558	CYP19A1	-	GI(Protien) :
PubChem	None	uM		CYP19A1	-	GI(Protien) :
PubChem	Potency	uM	0.501	CYP3A4	-	GI(Protien) :
PubChem	ER Potency (uM)	uM	29.277	ESR1	-	GI(Protien) :
PubChem	Potency-Replicate_1	uM	30.638	ESR1	-	GI(Protien) :
PubChem	Potency-Replicate_1	uM	61.877	ESR1	-	GI(Protien) :
PubChem	ER Potency (uM)	uM	68.590	ESR1	-	GI(Protien) :
PubChem	Potency-Replicate_1	uM	43.641	NR3C1	-	GI(Protien) :
ChEMBL	Potency	nM	501.200	CYP3A4	-	Target : CHEMBL340

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