Tan Lab | DSigDB

Gene Set: D4 : CTD - retinol acetate

Collection

D4 : CTD

Chemical Name

retinol acetate ( From PubChem : RETINOL 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
328.488 g/mol	0	2	6.0811	False(3/4)

Structure

InChI

InChI=1S/C22H32O2/c1-17(9-7-10-18(2)14-16-24-20(4)23)12-13-21-19(3)11-8-15-22(21,5)6/h7,9-10,12-14H,8,11,15-16H2,1-6H3/b10-7+,13-12+,17-9+,18-14+

InChIKey

Links

Gene (10 / 20)

⊖ Less

Source	Type	Unit	Value	Gene	PMID	Other
CTD	affects(binding)			ALB		C009166
PubChem	Potency	uM	14.125	ALDH1A1	-	GI(Protien) :
PubChem	Potency	uM	22.387	ALDH1A1	-	GI(Protien) :
PubChem	Potency-Replicate_1	uM	61.131	AR	-	GI(Protien) :
PubChem	Potency-Replicate_1	uM	66.919	AR	-	GI(Protien) :
PubChem	Potency-Replicate_1	uM	33.827	ESR1	-	GI(Protien) :
PubChem	Ratio Potency (uM)	uM	47.786	ESR1	-	GI(Protien) :
PubChem	Ratio Potency (uM)	uM	53.626	HSPB1	-	GI(Protien) :
PubChem	Ratio Potency (uM)	uM	54.948	HSPB1	-	GI(Protien) :
PubChem	Potency	uM	42.163	NFE2L2	-	GI(Protien) :
PubChem	Potency	uM	54.483	NFE2L2	-	GI(Protien) :
PubChem	Ratio Potency (uM)	uM	56.305	NFE2L2	-	GI(Protien) :
PubChem	Potency-Replicate_1	uM	59.642	NFE2L2	-	GI(Protien) :
PubChem	Potency-Replicate_1	uM	43.647	NR3C1	-	GI(Protien) :
PubChem	None	uM		NR3C1	-	GI(Protien) :
PubChem	Potency	uM	23.109	TDP1	-	GI(Protien) :
PubChem	Potency	uM	39.811	VDR	-	GI(Protien) :
ChEMBL	Potency	nM	14125.400	ALDH1A1	-	Target : CHEMBL3577
ChEMBL	Potency	nM	22387.200	ALDH1A1	-	Target : CHEMBL3577
ChEMBL	Potency	nM	39810.700	HSD17B10	-	Target : CHEMBL4159

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