Tan Lab | DSigDB

Gene Set: D4 : CTD - 9-cis-retinal

Collection

D4 : CTD

Chemical Name

9-cis-retinal ( From PubChem : 13-CIS RETINAL )

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
284.436 g/mol	0	1	5.7169	False(3/4)

Structure

InChI

InChI=1S/C20H28O/c1-16(8-6-9-17(2)13-15-21)11-12-19-18(3)10-7-14-20(19,4)5/h6,8-9,11-13,15H,7,10,14H2,1-5H3/b9-6+,12-11+,16-8+,17-13+

InChIKey

NCYCYZXNIZJOKI-OVSJKPMPSA-N

Links

Gene (20 / 58)

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Source	Type	Unit	Value	Gene	PMID	Other
CTD	increases(metabolic processing)			ADH1B		C031390
CTD	increases(reduction)			AKR1B10		C031390
CTD	increases(reduction)			AKR1C1		C031390
CTD	increases(reduction)			AKR1C3		C031390
CTD	increases(reduction)			AKR1C4		C031390
CTD	affects(binding)			CYP3A4		C031338
CTD	increases(expression)			CYP3A4		C031338
CTD	increases(reaction)			CYP3A4		C031338
CTD	increases(activity)			CYP3A4		C031338
CTD	affects(binding)			CYP3A4		C031390
CTD	increases(reaction)			CYP3A4		C031390
CTD	affects(binding)			CYP3A4		C031390
CTD	increases(expression)			CYP3A4		C031390
CTD	increases(reaction)			CYP3A4		C031390
CTD	increases(activity)			CYP3A4		C031390
CTD	affects(binding)			NR1I2		C031338
CTD	increases(expression)			NR1I2		C031338
CTD	increases(reaction)			NR1I2		C031338
CTD	affects(binding)			NR1I2		C031390
CTD	increases(expression)			NR1I2		C031390
CTD	increases(reaction)			NR1I2		C031390
CTD	affects(binding)			NR1I3		C031390
CTD	increases(reaction)			NR1I3		C031390
CTD	affects(binding)			RXRA		C031338
CTD	increases(expression)			RXRA		C031338
CTD	increases(reaction)			RXRA		C031338
CTD	affects(binding)			RXRA		C031390
CTD	increases(reaction)			RXRA		C031390
CTD	affects(binding)			RXRA		C031390
CTD	increases(expression)			RXRA		C031390
CTD	increases(reaction)			RXRA		C031390
PubChem	Potency	uM	22.387	ALDH1A1	-	GI(Protien) :
PubChem	Potency-Replicate_1	uM	12.234	AR	-	GI(Protien) :
PubChem	Potency-Replicate_1	uM	60.758	AR	-	GI(Protien) :
PubChem	Potency	uM	0.422	CXCL8	-	GI(Protien) :
PubChem	Potency-Replicate_1	uM	15.262	CYP19A1	-	GI(Protien) :
PubChem	Ratio Potency (uM)	uM	12.228	ESR1	-	GI(Protien) :
PubChem	Potency	uM	44.668	ESR1	-	GI(Protien) :
PubChem	Potency-Replicate_1	uM	48.703	ESR1	-	GI(Protien) :
PubChem	None	uM		MAPT	-	GI(Protien) :
PubChem	Potency	uM	29.849	NFE2L2	-	GI(Protien) :
PubChem	Potency-Replicate_1	uM	61.313	NR1H4	-	GI(Protien) :
PubChem	Potency-Replicate_1	uM	7.080	NR1I2	-	GI(Protien) :
PubChem	Potency-Replicate_1	uM	48.703	PPARD	-	GI(Protien) :
PubChem	Ratio Potency (uM)	uM		PPARG	-	GI(Protien) :
PubChem	Potency	uM	0.422	CXCL8	-	GI(Protien) :
PubChem	None	uM		CYP19A1	-	GI(Protien) :
PubChem	ER Potency (uM)	uM	9.527	ESR1	-	GI(Protien) :
PubChem	Potency-Replicate_1	uM	16.305	ESR1	-	GI(Protien) :
PubChem	Potency	uM	39.811	ESR1	-	GI(Protien) :
PubChem	Ratio Potency (uM)	uM	48.167	ESR1	-	GI(Protien) :
PubChem	Potency-Replicate_1	uM	58.364	ESR1	-	GI(Protien) :
PubChem	None	uM		MAPT	-	GI(Protien) :
PubChem	Potency	uM	37.578	NFE2L2	-	GI(Protien) :
PubChem	Potency-Replicate_1	uM	7.943	NR1I2	-	GI(Protien) :
ChEMBL	Potency	nM	22387.200	ALDH1A1	-	Target : CHEMBL3577
ChEMBL	Activity	-		OPN1LW	-	Target : CHEMBL1949482
ChEMBL	Activity	-		OPN1LW	-	Target : CHEMBL1949482

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