Tan Lab | DSigDB

Gene Set: D4 : Boss - retinoic acid p-hydroxyanilide

Collection

D4 : Boss

Chemical Name

retinoic acid p-hydroxyanilide ( From PubChem : FENRETINIDE )

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
391.546 g/mol	2	3	6.9353	False(3/4)

Structure

InChI

InChI=1S/C26H33NO2/c1-19(11-16-24-21(3)10-7-17-26(24,4)5)8-6-9-20(2)18-25(29)27-22-12-14-23(28)15-13-22/h6,8-9,11-16,18,28H,7,10,17H2,1-5H3,(H,27,29)/b9-6+,16-11+,19-8+,20-18+

InChIKey

AKJHMTWEGVYYSE-FXILSDISSA-N

Links

Gene (34 / 68)

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Source	Type	Unit	Value	Gene	PMID	Other
BOSS	Text Mining			ABCA1
BOSS	Text Mining			ASNA1
BOSS	Text Mining			CASP3
BOSS	Text Mining			INS
BOSS	Text Mining			MMP9
BOSS	Text Mining			NGFR
BOSS	Text Mining			POLR2D
BOSS	Text Mining			TP53
PubChem	Potency	uM	17.783	ALDH1A1	-	GI(Protien) :
PubChem	Potency	uM	19.953	ALDH1A1	-	GI(Protien) :
PubChem	Ratio Potency (uM)	uM	8.934	AR	-	GI(Protien) :
PubChem	Potency-Replicate_1	uM	14.159	AR	-	GI(Protien) :
PubChem	Ratio Potency (uM)	uM	17.593	AR	-	GI(Protien) :
PubChem	Potency-Replicate_1	uM	23.915	AR	-	GI(Protien) :
PubChem	Potency-Replicate_1	uM	28.002	AR	-	GI(Protien) :
PubChem	Potency-Replicate_1	uM	29.849	AR	-	GI(Protien) :
PubChem	Potency	uM	28.184	ATXN2	-	GI(Protien) :
PubChem	Potency	uM	31.623	ATXN2	-	GI(Protien) :
PubChem	Potency	uM	31.623	ATXN2	-	GI(Protien) :
PubChem	Potency	uM	39.811	CBX1	-	GI(Protien) :
PubChem	Potency-Replicate_1	uM	13.333	CYP19A1	-	GI(Protien) :
PubChem	Potency-Replicate_1	uM	28.002	CYP19A1	-	GI(Protien) :
PubChem	Potency	uM	15.849	CYP3A4	-	GI(Protien) :
PubChem	None	uM		DRD2	-	GI(Protien) :
PubChem	None	uM		DRD3	-	GI(Protien) :
PubChem	None	uM		DRD3	-	GI(Protien) :
PubChem	Potency	uM	12.589	EHMT2	-	GI(Protien) :
PubChem	Potency-Replicate_1	uM	6.007	ESR1	-	GI(Protien) :
PubChem	Ratio Potency (uM)	uM	9.521	ESR1	-	GI(Protien) :
PubChem	Potency	uM	15.849	ESR1	-	GI(Protien) :
PubChem	Potency	uM	12.589	GLS	-	GI(Protien) :
PubChem	Potency	uM	14.581	IDH1	-	GI(Protien) :
PubChem	None	uM		IL1B	-	GI(Protien) :
PubChem	Potency	uM	15.849	MAPT	-	GI(Protien) :
PubChem	None	uM		MAPT	-	GI(Protien) :
PubChem	None	uM		MDM2	-	GI(Protien) :
PubChem	None	uM		MDM4	-	GI(Protien) :
PubChem	Potency	uM	18.493	MTOR	-	GI(Protien) :
PubChem	Potency	uM	6.310	NFKB1	-	GI(Protien) :
PubChem	None	uM		PLA2G7	-	GI(Protien) :
PubChem	None	uM		PLA2G7	-	GI(Protien) :
PubChem	Potency-Replicate_1	uM	70.965	PPARG	-	GI(Protien) :
PubChem	Potency	uM	6.513	TDP1	-	GI(Protien) :
PubChem	Potency	uM	8.200	TDP1	-	GI(Protien) :
PubChem	Potency	uM	10.322	TDP1	-	GI(Protien) :
PubChem	Potency	uM	10.593	TDP1	-	GI(Protien) :
PubChem	Potency	uM	11.582	TDP1	-	GI(Protien) :
PubChem	Potency	uM	12.995	TDP1	-	GI(Protien) :
PubChem	Potency	uM	14.963	TDP1	-	GI(Protien) :
PubChem	Potency	uM	18.356	TDP1	-	GI(Protien) :
PubChem	Potency	uM	10.000	THPO	-	GI(Protien) :
PubChem	None	uM		TNFRSF10B	-	GI(Protien) :
PubChem	Potency	uM	15.849	TP53	-	GI(Protien) :
ChEMBL	Potency	nM	19952.600	ALDH1A1	-	Target : CHEMBL3577
ChEMBL	Potency	nM	17782.800	ALDH1A1	-	Target : CHEMBL3577
ChEMBL	Potency	nM	39810.700	CBX1	-	Target : CHEMBL1741193
ChEMBL	Potency	nM	15848.900	CYP3A4	-	Target : CHEMBL340
ChEMBL	Potency	nM	12589.300	EHMT2	-	Target : CHEMBL6032
ChEMBL	Potency	nM	50118.700	KDM4A	-	Target : CHEMBL5896
ChEMBL	Potency	nM	19952.600	KDM4E	-	Target : CHEMBL1293226
ChEMBL	Potency	nM	8912.500	MAPT	-	Target : CHEMBL1293224
ChEMBL	Potency	nM	15848.900	MAPT	-	Target : CHEMBL1293224
ChEMBL	Potency	nM	11220.200	MAPT	-	Target : CHEMBL1293224
ChEMBL	Potency	nM	18492.700	MTOR	-	Target : CHEMBL2842
ChEMBL	Potency	nM	6309.600	NFKB1	-	Target : CHEMBL3251
ChEMBL	Activity	-		RBP4	-	Target : CHEMBL3100
ChEMBL	Potency	nM	10000.000	THPO	-	Target : CHEMBL1293256
ChEMBL	Potency	nM	15848.900	TP53	-	Target : CHEMBL4096

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