Tan Lab | DSigDB

Gene Set: D1 - Approved - ADAPALENE

Collection

D1 : Approved

Chemical Name

ADAPALENE

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
412.52 g/mol	1	3	6.6814	False(3/4)

Structure

InChI

InChI=1S/C28H28O3/c1-31-26-7-6-23(21-2-3-22-12-24(27(29)30)5-4-20(22)11-21)13-25(26)28-14-17-8-18(15-28)10-19(9-17)16-28/h2-7,11-13,17-19H,8-10,14-16H2,1H3,(H,29,30)/t17-,18+,19-,28-

InChIKey

LZCDAPDGXCYOEH-AADAIPAGSA-N

Links

Gene (11 / 21)

⊖ Less

Source	Type	Unit	Value	Gene	PMID	Other
PubChem		uM		CYP19A1	-	GI(Protien) :
PubChem	ER Potency (uM)	uM	0.162	ESR1	-	GI(Protien) :
PubChem	Potency	uM	0.376	ESR1	-	GI(Protien) :
PubChem	Ratio Potency (uM)	uM	7.004	ESR1	-	GI(Protien) :
PubChem	Potency	uM	7.562	ESR1	-	GI(Protien) :
PubChem	Ratio Potency (uM)	uM	29.847	HSPB1	-	GI(Protien) :
PubChem	Ratio Potency (uM)	uM	11.004	NFE2L2	-	GI(Protien) :
PubChem		uM		NR1H4	-	GI(Protien) :
PubChem	Potency	uM	10.682	NR3C1	-	GI(Protien) :
PubChem		uM		NR3C1	-	GI(Protien) :
PubChem	Ki	uM	1.100	RARA	-	GI(Protien) :
PubChem	Ki	uM	0.034	RARB	-	GI(Protien) :
PubChem		uM		RARB		GI(Protien) :
PubChem		uM		RARB		GI(Protien) :
PubChem	Ki	uM	0.130	RARG	-	GI(Protien) :
PubChem		uM		RARG		GI(Protien) :
PubChem		uM		RARG		GI(Protien) :
PubChem	Potency	uM	2.371	TP53	-	GI(Protien) :
PubChem	Ratio Potency (uM)	uM	2.371	TP53	-	GI(Protien) :
PubChem	Potency	uM	79.433	USP1	-	GI(Protien) :
ChEMBL	Potency	nM	79432.800	USP1	-	Target : CHEMBL1795087

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