Tan Lab | DSigDB

Gene Set: D4 : CTD - N(6)-(3-iodobenzyl)-5'-N-methylcarboxamidoadenosine

Collection

D4 : CTD

Chemical Name

N(6)-(3-iodobenzyl)-5'-N-methylcarboxamidoadenosine ( From PubChem : IB-MECA )

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
510.286 g/mol	4	10	0.8721	False(3/4)

Structure

InChI

InChI=1S/C18H19IN6O4/c1-20-17(28)14-12(26)13(27)18(29-14)25-8-24-11-15(22-7-23-16(11)25)21-6-9-3-2-4-10(19)5-9/h2-5,7-8,12-14,18,26-27H,6H2,1H3,(H,20,28)(H,21,22,23)/t12-,13+,14-,18+/m0/s1

InChIKey

HUJXGQILHAUCCV-MOROJQBDSA-N

Links

Gene (11 / 22)

⊖ Less

Source	Type	Unit	Value	Gene	PMID	Other
CTD	decreases(reaction)			AKT1		C084956
CTD	increases(phosphorylation)			AKT1		C084956
CTD	decreases(response to substance)			BIRC3		C084956
CTD	decreases(expression)			BIRC3		C084956
CTD	decreases(response to substance)			BIRC5		C084956
CTD	affects(binding)			IL12A		C084956
CTD	decreases(expression)			IL12A		C084956
CTD	decreases(reaction)			IL12A		C084956
CTD	affects(binding)			IL12B		C084956
CTD	decreases(expression)			IL12B		C084956
CTD	decreases(reaction)			IL12B		C084956
CTD	decreases(expression)			NAIP		C084956
CTD	decreases(response to substance)			NAIP		C084956
PubChem	None	uM		GFER	-	GI(Protien) :
PubChem	None	uM		MRGPRX1	-	GI(Protien) :
PubChem	Potency	uM	15.849	RXFP1	-	GI(Protien) :
PubChem	IC50	uM	1.826	SLC5A7	-	GI(Protien) :
PubChem	IC50	uM	2.375	SLC5A7	-	GI(Protien) :
PubChem	None	uM		SLC5A7	-	GI(Protien) :
PubChem	None	uM		SLC5A7	-	GI(Protien) :
PubChem	None	uM		SLC5A7	-	GI(Protien) :
PubChem	Potency	uM	15.962	TDP1	-	GI(Protien) :

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