Tan Lab | DSigDB

Gene Set: D4 : CTD - Chlormadinone Acetate

Collection

D4 : CTD

Chemical Name

Chlormadinone Acetate ( From PubChem : 6-CHLORO-3,20-DIOXOPREGNA-4,6-DIEN-17-YL ACETATE )

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

Molecular Weight	Hydrogen Bond Donor Count	Hydrogen Bond Acceptor Count	cLogP	Lipinski Rule
404.927 g/mol	0	4	4.7517	True

Structure

InChI

InChI=1S/C23H29ClO4/c1-13(25)23(28-14(2)26)10-7-18-16-12-20(24)19-11-15(27)5-8-21(19,3)17(16)6-9-22(18,23)4/h11-12,16-18H,5-10H2,1-4H3

InChIKey

Links

Gene (7 / 20)

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Source	Type	Unit	Value	Gene	PMID	Other
CTD	decreases(activity)			AR		D002715
CTD	decreases(reaction)			SLC22A2		D002715
CTD	increases(uptake)			SLC22A2		D002715
PubChem	Potency-Replicate_1	uM	0.172	AR	-	GI(Protien) :
PubChem	Potency-Replicate_1	uM	0.422	AR	-	GI(Protien) :
PubChem	Ratio Potency (uM)	uM	0.528	AR	-	GI(Protien) :
PubChem	Ratio Potency (uM)	uM	0.728	AR	-	GI(Protien) :
PubChem	Potency-Replicate_1	uM	0.952	AR	-	GI(Protien) :
PubChem	Ratio Potency (uM)	uM	1.276	AR	-	GI(Protien) :
PubChem	Ratio Potency (uM)	uM	7.562	AR	-	GI(Protien) :
PubChem	Ratio Potency (uM)	uM	12.172	NFE2L2	-	GI(Protien) :
PubChem	Ratio Potency (uM)	uM	22.382	NFE2L2	-	GI(Protien) :
PubChem	Potency	uM	5.012	NPSR1	-	GI(Protien) :
PubChem	Potency-Replicate_1	uM	54.840	NR1H4	-	GI(Protien) :
PubChem	None	uM		NR1H4	-	GI(Protien) :
PubChem	Potency-Replicate_1	uM	0.087	NR3C1	-	GI(Protien) :
PubChem	None	uM		NR3C1	-	GI(Protien) :
PubChem	None	uM		NR3C1	-	GI(Protien) :
PubChem	Potency	uM	21.136	TDP1	-	GI(Protien) :
ChEMBL	Potency	nM	5011.900	NPSR1	-	Target : CHEMBL5162

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