Tan Lab | DSigDB

Gene Set: D4 : CTD - benzamil

Collection

D4 : CTD

Chemical Name

benzamil ( From PubChem : BENZAMIL )

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
319.75 g/mol	4	8	2.7927	True

Structure

InChI

InChI=1S/C13H14ClN7O/c14-9-11(16)20-10(15)8(19-9)12(22)21-13(17)18-6-7-4-2-1-3-5-7/h1-5H,6H2,(H4,15,16,20)(H3,17,18,21,22)

InChIKey

Links

Gene (11 / 22)

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Source	Type	Unit	Value	Gene	PMID	Other
CTD	affects(binding)			AOC1		C013407
CTD	decreases(activity)			SLC9A7		C013407
PubChem	None	uM		CYP1A2	-	GI(Protien) :
PubChem	Potency	uM	5.012	CYP2D6	-	GI(Protien) :
PubChem	Potency	uM	15.849	CYP2D6	-	GI(Protien) :
PubChem	None	uM		CYP2D6	-	GI(Protien) :
PubChem	Potency	uM	5.012	DRD1	-	GI(Protien) :
PubChem	Potency	uM	12.589	HIF1A	-	GI(Protien) :
PubChem	None	uM		STK33	-	GI(Protien) :
PubChem	Potency	uM	17.638	TDP1	-	GI(Protien) :
PubChem	Potency	uM	12.589	THPO	-	GI(Protien) :
ChEMBL	AC50	nM	15848.900	CYP2D6	-	Target : CHEMBL289
ChEMBL	Potency	nM	15848.900	CYP2D6	-	Target : CHEMBL289
ChEMBL	Potency	nM	5011.900	CYP2D6	-	Target : CHEMBL289
ChEMBL	AC50	nM	5011.870	CYP2D6	-	Target : CHEMBL289
ChEMBL	Potency	nM	5011.900	DRD1	-	Target : CHEMBL2056
ChEMBL	Potency	nM	8912.500	GAA	-	Target : CHEMBL2608
ChEMBL	Potency	nM	12589.300	HIF1A	-	Target : CHEMBL4261
ChEMBL	Potency	nM	31622.800	HSD17B10	-	Target : CHEMBL4159
ChEMBL	Potency	nM	15848.900	HSD17B10	-	Target : CHEMBL4159
ChEMBL	Potency	nM	31622.800	HSD17B10	-	Target : CHEMBL4159
ChEMBL	Potency	nM	12589.300	THPO	-	Target : CHEMBL1293256

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