Tan Lab | DSigDB

Gene Set: D4 : TTD - CHRYSIN

Collection

D4 : TTD

Chemical Name

CHRYSIN ( From PubChem : CHRYSIN )

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
254.238 g/mol	2	4	2.8712	True

Structure

InChI

InChI=1S/C15H10O4/c16-10-6-11(17)15-12(18)8-13(19-14(15)7-10)9-4-2-1-3-5-9/h1-8,16-17H

InChIKey

RTIXKCRFFJGDFG-UHFFFAOYSA-N

Links

Gene (27 / 51)

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Source	Type	Unit	Value	Gene	PMID	Other
TTD	Inhibitor			AKR1B1		Successful target
TTD	Inhibitor			CDK6		Clinical trial target
TTD	Inhibitor			CYP19A1		Successful target
TTD	Inhibitor			CYP1B1		Research target
PubChem	AhR Potency (uM)	uM	10.871	AHR	-	GI(Protien) :
PubChem	Potency-Replicate_1	uM	12.197	AHR	-	GI(Protien) :
PubChem	Potency	uM	39.811	AHR	-	GI(Protien) :
PubChem	None	uM		AKR1C4	-	GI(Protien) :
PubChem	Potency	uM	8.912	ALDH1A1	-	GI(Protien) :
PubChem	Potency-Replicate_1	uM	30.638	CYP19A1	-	GI(Protien) :
PubChem	None	uM		CYP1A2	-	GI(Protien) :
PubChem	None	uM		CYP1A2	-	GI(Protien) :
PubChem	Potency	uM	0.794	CYP2C19	-	GI(Protien) :
PubChem	None	uM		CYP2C19	-	GI(Protien) :
PubChem	Potency	uM	2.512	CYP3A4	-	GI(Protien) :
PubChem	Potency	uM	7.943	CYP3A4	-	GI(Protien) :
PubChem	Potency-Replicate_1	uM	13.804	ESR1	-	GI(Protien) :
PubChem	Ratio Potency (uM)	uM	18.765	ESR1	-	GI(Protien) :
PubChem	Potency-Replicate_1	uM	19.331	ESR1	-	GI(Protien) :
PubChem	Potency	uM	6.310	HIF1A	-	GI(Protien) :
PubChem	Potency	uM	10.871	NFE2L2	-	GI(Protien) :
PubChem	Potency-Replicate_1	uM	13.685	NFE2L2	-	GI(Protien) :
PubChem	Ratio Potency (uM)	uM	24.337	NFE2L2	-	GI(Protien) :
PubChem	None	uM		NR0B1	-	GI(Protien) :
PubChem	None	uM		NR0B1	-	GI(Protien) :
PubChem	None	uM		NR1H4	-	GI(Protien) :
PubChem	Potency-Replicate_1	uM	50.119	NR1I2	-	GI(Protien) :
PubChem	Potency-Replicate_1	uM	19.494	NR3C1	-	GI(Protien) :
PubChem	Ratio Potency (uM)	uM	17.374	PPARG	-	GI(Protien) :
PubChem	None	uM		PPARG	-	GI(Protien) :
PubChem	None	uM		SMARCA2	-	GI(Protien) :
PubChem	Potency	uM	3.981	SMN2	-	GI(Protien) :
PubChem	None	uM		STK16	-	GI(Protien) :
PubChem	Potency	uM	18.356	TDP1	-	GI(Protien) :
PubChem	None	uM		VDR	-	GI(Protien) :
ChEMBL	Potency	nM	8912.500	ALDH1A1	-	Target : CHEMBL3577
ChEMBL	IC50	-		AR	-	Target : CHEMBL1871
ChEMBL	Inhibition	-		CYBB	-	Target : CHEMBL1287627
ChEMBL	Inhibition	-		CYBB	-	Target : CHEMBL1287627
ChEMBL	Inhibition	-		CYBB	-	Target : CHEMBL1287627
ChEMBL	Inhibition	-		CYBB	-	Target : CHEMBL1287627
ChEMBL	AC50	nM	19.950	CYP1A2	-	Target : CHEMBL3356
ChEMBL	Inhibition	-		CYP1B1	-	Target : CHEMBL4878
ChEMBL	AC50	nM	794.330	CYP2C19	-	Target : CHEMBL3622
ChEMBL	Potency	nM	794.300	CYP2C19	-	Target : CHEMBL3622
ChEMBL	Potency	nM	2511.900	CYP3A4	-	Target : CHEMBL340
ChEMBL	Potency	nM	7943.300	CYP3A4	-	Target : CHEMBL340
ChEMBL	Potency	nM	6309.600	HIF1A	-	Target : CHEMBL4261
ChEMBL	Activity	-		NR3C1	-	Target : CHEMBL2034
ChEMBL	Potency	nM	3981.100	SMN1; SMN2	-	Target : CHEMBL1293232
ChEMBL	ID50	-		TYR	-	Target : CHEMBL1973

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