Tan Lab | DSigDB

Gene Set: D4 : TTD - Danazol

Collection

D4 : TTD

Chemical Name

Danazol ( From PubChem : DANAZOL )

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

Molecular Weight	Hydrogen Bond Donor Count	Hydrogen Bond Acceptor Count	cLogP	Lipinski Rule
337.455 g/mol	1	3	4.221	True

Structure

InChI

InChI=1S/C22H27NO2/c1-4-22(24)10-8-18-16-6-5-15-11-19-14(13-23-25-19)12-20(15,2)17(16)7-9-21(18,22)3/h1,11,13,16-18,24H,5-10,12H2,2-3H3/t16-,17+,18+,20+,21+,22+/m1/s1

InChIKey

POZRVZJJTULAOH-LHZXLZLDSA-N

Links

Gene (13 / 34)

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Source	Type	Unit	Value	Gene	PMID	Other
TTD	Antagonist			ESR1		Successful target
TTD	Drug(s)			ESR1		Successful target
PubChem	None	uM		ABCB1	-	GI(Protien) :
PubChem	Potency-Replicate_1	uM	0.010	AR	-	GI(Protien) :
PubChem	Ratio Potency (uM)	uM	0.016	AR	-	GI(Protien) :
PubChem	Potency-Replicate_1	uM	0.035	AR	-	GI(Protien) :
PubChem	Potency-Replicate_1	uM	0.075	AR	-	GI(Protien) :
PubChem	Ratio Potency (uM)	uM	0.221	AR	-	GI(Protien) :
PubChem	Ratio Potency (uM)	uM	1.028	AR	-	GI(Protien) :
PubChem	Potency-Replicate_1	uM	26.832	AR	-	GI(Protien) :
PubChem	None	uM		CACNA1H	-	GI(Protien) :
PubChem	None	uM		CYP19A1	-	GI(Protien) :
PubChem	Potency-Replicate_1	uM	0.668	ESR1	-	GI(Protien) :
PubChem	Potency-Replicate_1	uM	0.969	ESR1	-	GI(Protien) :
PubChem	Potency	uM	3.162	ESR1	-	GI(Protien) :
PubChem	Potency-Replicate_1	uM	3.378	ESR1	-	GI(Protien) :
PubChem	Ratio Potency (uM)	uM	5.775	ESR1	-	GI(Protien) :
PubChem	Potency-Replicate_1	uM	6.166	ESR1	-	GI(Protien) :
PubChem	Ratio Potency (uM)	uM	6.658	ESR1	-	GI(Protien) :
PubChem	Ratio Potency (uM)	uM	47.123	ESR1	-	GI(Protien) :
PubChem	Potency-Replicate_1	uM	48.966	ESR1	-	GI(Protien) :
PubChem	Potency-Replicate_1	uM	61.131	ESR1	-	GI(Protien) :
PubChem	ER Potency (uM)	uM	61.131	ESR1	-	GI(Protien) :
PubChem	Ratio Potency (uM)	uM	59.324	HSPB1	-	GI(Protien) :
PubChem	None	uM		MYC	-	GI(Protien) :
PubChem	Potency-Replicate_1	uM	5.354	NR3C1	-	GI(Protien) :
PubChem	None	uM		NR3C1	-	GI(Protien) :
PubChem	None	uM		TAAR1	-	GI(Protien) :
PubChem	None	uM		TAAR1	-	GI(Protien) :
ChEMBL	Inhibition	-		CYP1A2	-	Target : CHEMBL3356
ChEMBL	Inhibition	-		CYP2C9	-	Target : CHEMBL3397
ChEMBL	Inhibition	-		CYP2D6	-	Target : CHEMBL289
ChEMBL	Inhibition	-		CYP3A4	-	Target : CHEMBL340
ChEMBL	Inhibition	-		CYP3A4	-	Target : CHEMBL340

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