Tan Lab | DSigDB

Gene Set: D4 : CTD - iodopravadoline

Collection

D4 : CTD

Chemical Name

iodopravadoline ( From PubChem : AM-630 )

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
504.361 g/mol	0	5	4.064	False(3/4)

Structure

InChI

InChI=1S/C23H25IN2O3/c1-16-22(23(27)17-3-6-19(28-2)7-4-17)20-8-5-18(24)15-21(20)26(16)10-9-25-11-13-29-14-12-25/h3-8,15H,9-14H2,1-2H3

InChIKey

Links

Gene (13 / 30)

⊖ Less

Source	Type	Unit	Value	Gene	PMID	Other
CTD	decreases(reaction)			CNR1		C094023
CTD	increases(expression)			CNR1		C094023
CTD	decreases(reaction)			ICAM1		C094023
CTD	increases(expression)			ICAM1		C094023
CTD	decreases(reaction)			IDO1		C094023
CTD	increases(activity)			IDO1		C094023
CTD	increases(reaction)			IDO1		C094023
CTD	decreases(reaction)			IL4		C094023
CTD	increases(expression)			IL4		C094023
CTD	decreases(reaction)			MAPK1		C094023
CTD	increases(phosphorylation)			MAPK1		C094023
CTD	decreases(reaction)			MAPK3		C094023
CTD	increases(phosphorylation)			MAPK3		C094023
CTD	decreases(reaction)			OPRM1		C094023
CTD	increases(expression)			OPRM1		C094023
CTD	decreases(expression)			SLC19A2		C094023
CTD	affects(cotreatment)			TIMP1		C094023
CTD	decreases(reaction)			TIMP1		C094023
CTD	increases(expression)			TIMP1		C094023
PubChem	Potency	uM	5.012	ALDH1A1	-	GI(Protien) :
PubChem	None	uM		CYP1A2	-	GI(Protien) :
PubChem	None	uM		CYP1A2	-	GI(Protien) :
PubChem	Potency	uM	5.012	CYP3A4	-	GI(Protien) :
PubChem	None	uM		CYP3A4	-	GI(Protien) :
PubChem	Potency	uM	6.310	TSHR	-	GI(Protien) :
ChEMBL	Potency	nM	5011.900	ALDH1A1	-	Target : CHEMBL3577
ChEMBL	AC50	nM	15848.900	CYP1A2	-	Target : CHEMBL3356
ChEMBL	AC50	nM	5011.870	CYP3A4	-	Target : CHEMBL340
ChEMBL	Potency	nM	5011.900	CYP3A4	-	Target : CHEMBL340
ChEMBL	Potency	nM	6309.600	TSHR	-	Target : CHEMBL1963

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