Tan Lab | DSigDB

Gene Set: D4 : TTD - HARMINE

Collection

D4 : TTD

Chemical Name

HARMINE ( From PubChem : HARMINE )

FDA	NPC	WHO	Indian	Australia	China	Traditional Herbal	Clinical Trail
Not	Not	Not	Not	Not	Not	Approved	Not

Molecular Weight	Hydrogen Bond Donor Count	Hydrogen Bond Acceptor Count	cLogP	Lipinski Rule
212.247 g/mol	1	2	3.0331	True

Structure

InChI

InChI=1S/C13H12N2O/c1-8-13-11(5-6-14-8)10-4-3-9(16-2)7-12(10)15-13/h3-7,15H,1-2H3

InChIKey

Links

Gene (15 / 32)

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Source	Type	Unit	Value	Gene	PMID	Other
TTD	Inhibitor			MAOA		Successful target
PubChem	Potency	uM	5.623	ALDH1A1	-	GI(Protien) :
PubChem	AC50_uM	uM	0.012	CLK1	-	GI(Protien) :
PubChem	AC50_uM	uM	0.023	CLK1	-	GI(Protien) :
PubChem	Potency	uM	0.067	CLK4	-	GI(Protien) :
PubChem	None	uM		CYP1A2	-	GI(Protien) :
PubChem	None	uM		CYP1A2	-	GI(Protien) :
PubChem	Potency	uM	15.849	CYP3A4	-	GI(Protien) :
PubChem	Potency	uM	23.109	NFE2L2	-	GI(Protien) :
PubChem	Potency	uM	9.441	TDP1	-	GI(Protien) :
PubChem	Potency	uM	11.582	TDP1	-	GI(Protien) :
PubChem	Potency	uM	11.886	TDP1	-	GI(Protien) :
PubChem	Potency	uM	12.589	TDP1	-	GI(Protien) :
PubChem	Potency	uM	12.995	TDP1	-	GI(Protien) :
PubChem	Potency	uM	19.953	TDP1	-	GI(Protien) :
ChEMBL	Potency	nM	5623.400	ALDH1A1	-	Target : CHEMBL3577
ChEMBL	Potency	nM	7943.300	APEX1	-	Target : CHEMBL5619
ChEMBL	Potency	nM	31622.800	APEX1	-	Target : CHEMBL5619
ChEMBL	Activity	-		CLK1	-	Target : CHEMBL4224
ChEMBL	Activity	-		CLK2	-	Target : CHEMBL4225
ChEMBL	Activity	-		CLK3	-	Target : CHEMBL4226
ChEMBL	Potency	nM	67.100	CLK4	-	Target : CHEMBL4203
ChEMBL	Activity	-		CLK4	-	Target : CHEMBL4203
ChEMBL	AC50	nM	398.110	CYP1A2	-	Target : CHEMBL3356
ChEMBL	Potency	nM	15848.900	CYP3A4	-	Target : CHEMBL340
ChEMBL	Activity	-		DYRK1A	-	Target : CHEMBL2292
ChEMBL	Activity	-		DYRK1B	-	Target : CHEMBL5543
ChEMBL	Activity	-		DYRK2	-	Target : CHEMBL4376
ChEMBL	Potency	nM	15848.900	HSD17B10	-	Target : CHEMBL4159
ChEMBL	Potency	nM	25118.900	HSD17B10	-	Target : CHEMBL4159
ChEMBL	Potency	nM	12589.300	HSD17B10	-	Target : CHEMBL4159
ChEMBL	Potency	nM	23109.300	NFE2L2	-	Target : CHEMBL1075094

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