Tan Lab | DSigDB

Gene Set: D4 : CTD - 4-nitrobenzylthioinosine

Collection

D4 : CTD

Chemical Name

4-nitrobenzylthioinosine ( From PubChem : NBMPR )

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
419.412 g/mol	3	9	1.1615	True

Structure

InChI

InChI=1S/C17H17N5O6S/c23-5-11-13(24)14(25)17(28-11)21-8-20-12-15(21)18-7-19-16(12)29-6-9-1-3-10(4-2-9)22(26)27/h1-4,7-8,11,13-14,17,23-25H,5-6H2/t11-,13-,14+,17+/m1/s1

InChIKey

DYCJFJRCWPVDHY-CVGURMSBSA-N

Links

Gene (4 / 18)

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Source	Type	Unit	Value	Gene	PMID	Other
CTD	affects(cotreatment)			SLC29A1		C001789
CTD	decreases(reaction)			SLC29A1		C001789
CTD	increases(uptake)			SLC29A1		C001789
CTD	decreases(reaction)			SLC29A1		C001789
CTD	decreases(response to substance)			SLC29A1		C001789
CTD	increases(uptake)			SLC29A1		C001789
CTD	decreases(reaction)			SLC29A1		C001789
CTD	increases(uptake)			SLC29A1		C001789
CTD	increases(reaction)			SLC29A1		C001789
CTD	affects(cotreatment)			SLC29A2		C001789
CTD	decreases(reaction)			SLC29A2		C001789
CTD	increases(uptake)			SLC29A2		C001789
CTD	increases(reaction)			SLC29A2		C001789
PubChem	Potency	uM	0.021	ATAD5	-	GI(Protien) :
PubChem	Potency	uM	12.995	TDP1	-	GI(Protien) :
ChEMBL	Potency	nM	20.600	ATAD5	-	Target : CHEMBL1741209
ChEMBL	Inhibition	-		SLC29A1	-	Target : CHEMBL1997
ChEMBL	Inhibition	-		SLC29A1	-	Target : CHEMBL1997

Download gene sets

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