Tan Lab | DSigDB

Gene Set: D4 : TTD - NECA

Collection

D4 : TTD

Chemical Name

NECA ( From PubChem : 5'-N-ETHYLCARBOXAMIDOADENOSINE )

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
308.293 g/mol	4	10	-0.8641	True

Structure

InChI

InChI=1S/C12H16N6O4/c1-2-14-11(21)8-6(19)7(20)12(22-8)18-4-17-5-9(13)15-3-16-10(5)18/h3-4,6-8,12,19-20H,2H2,1H3,(H,14,21)(H2,13,15,16)/t6-,7+,8-,12+/m0/s1

InChIKey

JADDQZYHOWSFJD-FLNNQWSLSA-N

Links

Gene (17 / 31)

⊖ Less

Source	Type	Unit	Value	Gene	PMID	Other
TTD	Inhibitor			ADORA1		Successful target
TTD	Inhibitor			ADORA2A		Successful target
TTD	Inhibitor			ADORA2B		Successful target
TTD	Inhibitor			ADORA3		Successful target
PubChem	None	uM		ADRBK1	-	GI(Protien) :
PubChem	Potency	uM	1.944	AVPR1B	-	GI(Protien) :
PubChem	Potency	uM	8.912	MAPK1	-	GI(Protien) :
PubChem	None	uM		NPY1R	-	GI(Protien) :
PubChem	None	uM		NPY1R	-	GI(Protien) :
PubChem	None	uM		NPY2R	-	GI(Protien) :
PubChem	None	uM		RGS4	-	GI(Protien) :
PubChem	None	uM		RGS4	-	GI(Protien) :
PubChem	Potency	uM	0.308	RXFP1	-	GI(Protien) :
PubChem	Potency	uM	1.259	RXFP1	-	GI(Protien) :
PubChem	Potency	uM	0.974	RXFP2	-	GI(Protien) :
PubChem	None	uM		TRHR	-	GI(Protien) :
PubChem	None	uM		KCNJ1	-	GI(Protien) :
PubChem	None	uM		MRGPRX1	-	GI(Protien) :
PubChem	None	uM		NPY1R	-	GI(Protien) :
PubChem	None	uM		NPY2R	-	GI(Protien) :
PubChem	None	uM		RGS4	-	GI(Protien) :
PubChem	None	uM		RGS4	-	GI(Protien) :
PubChem	None	uM		RGS4	-	GI(Protien) :
PubChem	None	uM		SLC5A7	-	GI(Protien) :
PubChem	None	uM		SLC5A7	-	GI(Protien) :
PubChem	Potency	uM	0.631	TSHR	-	GI(Protien) :
ChEMBL	Potency	nM	1943.800	AVPR1B	-	Target : CHEMBL1921
ChEMBL	Potency	nM	8912.500	MAPK1	-	Target : CHEMBL4040
ChEMBL	Potency	nM	308.100	RXFP1	-	Target : CHEMBL1293316
ChEMBL	Potency	nM	1258.900	RXFP1	-	Target : CHEMBL1293316
ChEMBL	Potency	nM	974.200	RXFP2	-	Target : CHEMBL1628482

Download gene sets

gmt, text, Detailed text