Tan Lab | DSigDB

Gene Set: D1 - Approved - CHLOROTRIANISENE

Collection

D1 : Approved

Chemical Name

CHLOROTRIANISENE

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

Molecular Weight	Hydrogen Bond Donor Count	Hydrogen Bond Acceptor Count	cLogP	Lipinski Rule
380.864 g/mol	0	3	5.8678	False(3/4)

Structure

InChI

InChI=1S/C23H21ClO3/c1-25-19-10-4-16(5-11-19)22(17-6-12-20(26-2)13-7-17)23(24)18-8-14-21(27-3)15-9-18/h4-15H,1-3H3

InChIKey

Links

Gene (8 / 26)

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Source	Type	Unit	Value	Gene	PMID	Other
PubChem	AR Potency (uM)	uM	57.418	AR	-	GI(Protien) :
PubChem	Potency	uM	61.131	AR	-	GI(Protien) :
PubChem	Potency	uM	8.591	CYP19A1	-	GI(Protien) :
PubChem	Potency	uM	12.197	CYP19A1	-	GI(Protien) :
PubChem		uM		CYP19A1	-	GI(Protien) :
PubChem	Ratio Potency (uM)	uM	0.509	ESR1	-	GI(Protien) :
PubChem	Potency	uM	1.230	ESR1	-	GI(Protien) :
PubChem	Ratio Potency (uM)	uM	1.322	ESR1	-	GI(Protien) :
PubChem	Potency	uM	1.509	ESR1	-	GI(Protien) :
PubChem	Potency	uM	1.541	ESR1	-	GI(Protien) :
PubChem	Potency	uM	1.585	ESR1	-	GI(Protien) :
PubChem	Ratio Potency (uM)	uM	1.598	ESR1	-	GI(Protien) :
PubChem	Potency	uM	9.688	ESR1	-	GI(Protien) :
PubChem	Potency	uM	12.135	ESR1	-	GI(Protien) :
PubChem	ER Potency (uM)	uM	15.277	ESR1	-	GI(Protien) :
PubChem	ER Potency (uM)	uM	15.355	ESR1	-	GI(Protien) :
PubChem	ER Potency (uM)	uM	15.545	ESR1	-	GI(Protien) :
PubChem	Potency	uM	18.834	ESR1	-	GI(Protien) :
PubChem		uM		ESR2		GI(Protien) :
PubChem	Potency	uM	7.943	NPSR1	-	GI(Protien) :
PubChem		uM		NR1H4	-	GI(Protien) :
PubChem		uM		NR3C1	-	GI(Protien) :
PubChem	Potency	uM	18.834	RORC	-	GI(Protien) :
ChEMBL	Potency	nM	1584.900	ESR1	-	Target : CHEMBL206
ChEMBL	Potency	nM	7943.300	NPSR1	-	Target : CHEMBL5162
ChEMBL	Potency	nM	18833.600	RORC	-	Target : CHEMBL1741186

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