Tan Lab | DSigDB

Gene Set: D4 : TTD - NSC-19028

Collection

D4 : TTD

Chemical Name

NSC-19028 ( From PubChem : FLAVONE )

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

Molecular Weight	Hydrogen Bond Donor Count	Hydrogen Bond Acceptor Count	cLogP	Lipinski Rule
222.239 g/mol	0	2	3.46	True

Structure

InChI

InChI=1S/C15H10O2/c16-13-10-15(11-6-2-1-3-7-11)17-14-9-5-4-8-12(13)14/h1-10H

InChIKey

Links

Gene (13 / 29)

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Source	Type	Unit	Value	Gene	PMID	Other
TTD	Inhibitor			ADORA3		Successful target
TTD	Inhibitor			AR		Clinical trial target
TTD	Inhibitor			CYP19A1		Successful target
TTD	Inhibitor			GABRA1		Successful target
PubChem	Potency-Replicate_1	uM	3.834	AHR	-	GI(Protien) :
PubChem	AhR Potency (uM)	uM	7.406	AHR	-	GI(Protien) :
PubChem	AhR Potency (uM)	uM	8.251	AHR	-	GI(Protien) :
PubChem	Potency-Replicate_1	uM	24.337	AHR	-	GI(Protien) :
PubChem	Potency	uM	44.668	AHR	-	GI(Protien) :
PubChem	Potency	uM	50.119	AHR	-	GI(Protien) :
PubChem	Ratio Potency (uM)	uM	40.611	AR	-	GI(Protien) :
PubChem	Ratio Potency (uM)	uM	50.907	AR	-	GI(Protien) :
PubChem	Potency	uM	20.588	ATAD5	-	GI(Protien) :
PubChem	Potency-Replicate_1	uM	2.434	ESR1	-	GI(Protien) :
PubChem	Potency-Replicate_1	uM	6.859	ESR1	-	GI(Protien) :
PubChem	Potency	uM	8.912	HPGD	-	GI(Protien) :
PubChem	Potency	uM	4.609	NFE2L2	-	GI(Protien) :
PubChem	Ratio Potency (uM)	uM	5.448	NFE2L2	-	GI(Protien) :
PubChem	Potency	uM	5.448	NFE2L2	-	GI(Protien) :
PubChem	Ratio Potency (uM)	uM	5.497	NFE2L2	-	GI(Protien) :
PubChem	None	uM		NR0B1	-	GI(Protien) :
PubChem	Potency-Replicate_1	uM	22.387	NR1I2	-	GI(Protien) :
PubChem	Potency-Replicate_1	uM	44.668	NR1I2	-	GI(Protien) :
PubChem	Potency-Replicate_1	uM	15.485	NR3C1	-	GI(Protien) :
PubChem	Potency-Replicate_1	uM	27.549	NR3C1	-	GI(Protien) :
PubChem	None	uM		NR3C1	-	GI(Protien) :
PubChem	None	uM		SENP8	-	GI(Protien) :
ChEMBL	Potency	nM	20587.800	ATAD5	-	Target : CHEMBL1741209
ChEMBL	Potency	nM	8912.500	HPGD	-	Target : CHEMBL1293255

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