Tan Lab | DSigDB

Gene Set: D4 : CTD - oxybenzone

Collection

D4 : CTD

Chemical Name

oxybenzone ( From PubChem : OXYBENZONE )

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

Molecular Weight	Hydrogen Bond Donor Count	Hydrogen Bond Acceptor Count	cLogP	Lipinski Rule
228.243 g/mol	1	3	2.6318	True

Structure

InChI

InChI=1S/C14H12O3/c1-17-11-7-8-12(13(15)9-11)14(16)10-5-3-2-4-6-10/h2-9,15H,1H3

InChIKey

Links

Gene (13 / 35)

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Source	Type	Unit	Value	Gene	PMID	Other
CTD	affects(binding)			AR		C005290
CTD	decreases(activity)			AR		C005290
CTD	decreases(reaction)			AR		C005290
CTD	increases(activity)			AR		C005290
CTD	affects(binding)			ESR1		C005290
CTD	increases(activity)			ESR1		C005290
CTD	affects(binding)			ESR2		C005290
CTD	increases(activity)			ESR2		C005290
CTD	affects(binding)			PGR		C005290
CTD	decreases(activity)			PGR		C005290
CTD	affects(cotreatment)			TFF1		C005290
CTD	increases(expression)			TFF1		C005290
PubChem	AhR Potency (uM)	uM	30.140	AHR	-	GI(Protien) :
PubChem	AhR Potency (uM)	uM	64.753	AHR	-	GI(Protien) :
PubChem	Potency	uM	31.623	ALDH1A1	-	GI(Protien) :
PubChem	None	uM		CYP1A2	-	GI(Protien) :
PubChem	None	uM		CYP1A2	-	GI(Protien) :
PubChem	None	uM		CYP2C19	-	GI(Protien) :
PubChem	Ratio Potency (uM)	uM	9.256	ESR1	-	GI(Protien) :
PubChem	Potency-Replicate_1	uM	23.710	ESR1	-	GI(Protien) :
PubChem	Potency-Replicate_1	uM	27.108	ESR1	-	GI(Protien) :
PubChem	Potency-Replicate_1	uM	34.376	ESR1	-	GI(Protien) :
PubChem	Potency-Replicate_1	uM	54.954	ESR1	-	GI(Protien) :
PubChem	Potency-Replicate_1	uM	60.137	ESR1	-	GI(Protien) :
PubChem	Ratio Potency (uM)	uM		ESR1	-	GI(Protien) :
PubChem	Potency	uM	14.125	HPGD	-	GI(Protien) :
PubChem	Potency	uM	15.849	HPGD	-	GI(Protien) :
PubChem	Potency	uM	11.220	HTT	-	GI(Protien) :
PubChem	Potency-Replicate_1	uM	44.668	NR1I2	-	GI(Protien) :
PubChem	None	uM		PTGER2	-	GI(Protien) :
ChEMBL	Potency	nM	31622.800	ALDH1A1	-	Target : CHEMBL3577
ChEMBL	AC50	nM	1584.890	CYP1A2	-	Target : CHEMBL3356
ChEMBL	Potency	nM	14125.400	HPGD	-	Target : CHEMBL1293255
ChEMBL	Potency	nM	15848.900	HPGD	-	Target : CHEMBL1293255
ChEMBL	Potency	nM	11220.200	HTT	-	Target : CHEMBL5514

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