Tan Lab | DSigDB

Gene Set: D4 : TTD - Dienestrol

Collection

D4 : TTD

Chemical Name

Dienestrol ( From PubChem : DIENESTROL )

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
266.334 g/mol	2	2	4.6046	True

Structure

InChI

InChI=1S/C18H18O2/c1-3-17(13-5-9-15(19)10-6-13)18(4-2)14-7-11-16(20)12-8-14/h3-12,19-20H,1-2H3/b17-3+,18-4+

InChIKey

Links

Gene (12 / 24)

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Source	Type	Unit	Value	Gene	PMID	Other
TTD	Agonist			ESR1		Successful target
TTD	Drug(s)			ESR1		Successful target
PubChem	Potency	uM	1.458	ADRB2	-	GI(Protien) :
PubChem	Potency	uM	25.119	ALOX15	-	GI(Protien) :
PubChem	Ratio Potency (uM)	uM	10.609	AR	-	GI(Protien) :
PubChem	Potency	uM	7.943	CYP3A4	-	GI(Protien) :
PubChem	Potency-Replicate_1	uM	0.000	ESR1	-	GI(Protien) :
PubChem	Potency-Replicate_1	uM	0.001	ESR1	-	GI(Protien) :
PubChem	Ratio Potency (uM)	uM	0.001	ESR1	-	GI(Protien) :
PubChem	EC50	uM	13.242	ESR1	-	GI(Protien) :
PubChem	None	uM		ESR1	-	GI(Protien) :
PubChem	None	uM		ESR1	-	GI(Protien) :
PubChem	Potency	uM	4.611	GMNN	-	GI(Protien) :
PubChem	Ratio Potency (uM)	uM	33.489	HSPB1	-	GI(Protien) :
PubChem	Ratio Potency (uM)	uM	13.332	NFE2L2	-	GI(Protien) :
PubChem	Potency-Replicate_1	uM	14.959	NFE2L2	-	GI(Protien) :
PubChem	None	uM		NR1H4	-	GI(Protien) :
PubChem	None	uM		NR3C1	-	GI(Protien) :
PubChem	Potency-Replicate_1	uM	29.847	PPARG	-	GI(Protien) :
ChEMBL	Potency	nM	1458.100	ADRB2	-	Target : CHEMBL210
ChEMBL	Potency	nM	25118.900	ALOX15	-	Target : CHEMBL2903
ChEMBL	Potency	nM	15848.900	ALOX15B	-	Target : CHEMBL2457
ChEMBL	Potency	nM	7943.300	CYP3A4	-	Target : CHEMBL340
ChEMBL	EC50	nM	13241.500	ESR1	-	Target : CHEMBL206

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