Tan Lab | DSigDB

Gene Set: D4 : TTD - Medroxyprogesterone acetate

Collection

D4 : TTD

Chemical Name

Medroxyprogesterone acetate ( From PubChem : MEDROXYPROGESTERONE ACETATE )

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

Molecular Weight	Hydrogen Bond Donor Count	Hydrogen Bond Acceptor Count	cLogP	Lipinski Rule
386.524 g/mol	0	4	4.6552	True

Structure

InChI

InChI=1S/C24H34O4/c1-14-12-18-19(22(4)9-6-17(27)13-21(14)22)7-10-23(5)20(18)8-11-24(23,15(2)25)28-16(3)26/h13-14,18-20H,6-12H2,1-5H3/t14-,18+,19-,20-,22+,23-,24-/m0/s1

InChIKey

PSGAAPLEWMOORI-PEINSRQWSA-N

Links

Gene (11 / 32)

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Source	Type	Unit	Value	Gene	PMID	Other
TTD	Drug(s)			PGR		Successful target
PubChem	Potency	uM	31.623	ALDH1A1	-	GI(Protien) :
PubChem	Potency-Replicate_1	uM	0.009	AR	-	GI(Protien) :
PubChem	Potency-Replicate_1	uM	0.011	AR	-	GI(Protien) :
PubChem	Ratio Potency (uM)	uM	0.123	AR	-	GI(Protien) :
PubChem	Ratio Potency (uM)	uM	0.151	AR	-	GI(Protien) :
PubChem	Potency-Replicate_1	uM	0.245	AR	-	GI(Protien) :
PubChem	Ratio Potency (uM)	uM	0.258	AR	-	GI(Protien) :
PubChem	Potency-Replicate_1	uM	0.301	AR	-	GI(Protien) :
PubChem	Ratio Potency (uM)	uM	0.436	AR	-	GI(Protien) :
PubChem	Potency	uM	1.585	AR	-	GI(Protien) :
PubChem	None	uM		CFTR	-	GI(Protien) :
PubChem	Potency	uM	15.849	CYP3A4	-	GI(Protien) :
PubChem	Potency	uM	25.119	ERG	-	GI(Protien) :
PubChem	Potency	uM	0.184	NFE2L2	-	GI(Protien) :
PubChem	Potency	uM	0.259	NFE2L2	-	GI(Protien) :
PubChem	Ratio Potency (uM)	uM	27.278	NFE2L2	-	GI(Protien) :
PubChem	Potency	uM	27.306	NFE2L2	-	GI(Protien) :
PubChem	Potency	uM	2.512	NPSR1	-	GI(Protien) :
PubChem	Potency-Replicate_1	uM	0.022	NR3C1	-	GI(Protien) :
PubChem	Ratio Potency (uM)	uM	0.034	NR3C1	-	GI(Protien) :
PubChem	Potency-Replicate_1	uM	0.038	NR3C1	-	GI(Protien) :
PubChem	Ratio Potency (uM)	uM	0.105	NR3C1	-	GI(Protien) :
PubChem	None	uM		NR3C1	-	GI(Protien) :
PubChem	Potency	uM	31.623	PARK2	-	GI(Protien) :
PubChem	Potency	uM	16.360	TDP1	-	GI(Protien) :
PubChem	Potency	uM	18.356	TDP1	-	GI(Protien) :
ChEMBL	Potency	nM	31622.800	ALDH1A1	-	Target : CHEMBL3577
ChEMBL	Potency	nM	15848.900	CYP3A4	-	Target : CHEMBL340
ChEMBL	Potency	nM	259.300	NFE2L2	-	Target : CHEMBL1075094
ChEMBL	Potency	nM	183.600	NFE2L2	-	Target : CHEMBL1075094
ChEMBL	Potency	nM	2511.900	NPSR1	-	Target : CHEMBL5162

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