Tan Lab | DSigDB

Gene Set: D4 : Boss - 13-cis ra

Collection

D4 : Boss

Chemical Name

13-cis ra ( From PubChem : ISOTRETINOIN )

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

Molecular Weight	Hydrogen Bond Donor Count	Hydrogen Bond Acceptor Count	cLogP	Lipinski Rule
300.435 g/mol	1	2	5.6026	False(3/4)

Structure

InChI

InChI=1S/C20H28O2/c1-15(8-6-9-16(2)14-19(21)22)11-12-18-17(3)10-7-13-20(18,4)5/h6,8-9,11-12,14H,7,10,13H2,1-5H3,(H,21,22)/b9-6+,12-11+,15-8+,16-14-

InChIKey

Links

Gene (22 / 33)

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Source	Type	Unit	Value	Gene	PMID	Other
BOSS	Text Mining			CSF2
BOSS	Text Mining			EGFR
BOSS	Text Mining			IL2
BOSS	Text Mining			INS
BOSS	Text Mining			RARA
BOSS	Text Mining			RHO
BOSS	Text Mining			TNF
PubChem	None	uM		ABCB1	-	GI(Protien) :
PubChem	Potency-Replicate_1	uM	48.706	AR	-	GI(Protien) :
PubChem	IC50_CF-PAF_Mean	uM	0.640	CFTR	-	GI(Protien) :
PubChem	None	uM		CFTR	-	GI(Protien) :
PubChem	IC50_CF-PAF_Mean	uM		CFTR	-	GI(Protien) :
PubChem	None	uM		CFTR	-	GI(Protien) :
PubChem	ER Potency (uM)	uM	0.043	ESR1	-	GI(Protien) :
PubChem	Potency-Replicate_1	uM	0.244	ESR1	-	GI(Protien) :
PubChem	None	uM		KCNK9	-	GI(Protien) :
PubChem	None	uM		MDM2	-	GI(Protien) :
PubChem	None	uM		MDM2	-	GI(Protien) :
PubChem	None	uM		MDM4	-	GI(Protien) :
PubChem	None	uM		MDM4	-	GI(Protien) :
PubChem	None	uM		NR0B1	-	GI(Protien) :
PubChem	None	uM		NR0B1	-	GI(Protien) :
PubChem	Potency-Replicate_1	uM	49.110	NR1H4	-	GI(Protien) :
PubChem	Ratio Potency (uM)	uM	49.110	NR1H4	-	GI(Protien) :
PubChem	None	uM		NR5A1	-	GI(Protien) :
PubChem	None	uM		PLA2G7	-	GI(Protien) :
PubChem	Ratio Potency (uM)	uM	0.335	PPARG	-	GI(Protien) :
PubChem	Potency	uM	23.109	TDP1	-	GI(Protien) :
PubChem	Potency	uM	22.387	THRB	-	GI(Protien) :
PubChem	Potency	uM	28.184	THRB	-	GI(Protien) :
PubChem	Potency	uM	50.119	VDR	-	GI(Protien) :
ChEMBL	Potency	nM	28183.800	THRB	-	Target : CHEMBL1947
ChEMBL	Potency	nM	22387.200	THRB	-	Target : CHEMBL1947

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