Tan Lab | DSigDB

Gene Set: D4 : TTD - KENPAULLONE

Collection

D4 : TTD

Chemical Name

KENPAULLONE ( From PubChem : KENPAULLONE )

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
327.175 g/mol	2	2	4.23	True

Structure

InChI

InChI=1S/C16H11BrN2O/c17-9-5-6-14-11(7-9)12-8-15(20)18-13-4-2-1-3-10(13)16(12)19-14/h1-7,19H,8H2,(H,18,20)

InChIKey

QQUXFYAWXPMDOE-UHFFFAOYSA-N

Links

Gene (29 / 58)

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Source	Type	Unit	Value	Gene	PMID	Other
TTD	Inhibitor			CCNB1		Research target
TTD	Inhibitor			CDK1		Clinical trial target
TTD	Inhibitor			CDK5		Research target
TTD	Inhibitor			GSK3B		Clinical trial target
PubChem	Potency	uM	0.411	ATAD5	-	GI(Protien) :
PubChem	IC50_CF-PAF_Mean	uM		CFTR	-	GI(Protien) :
PubChem	None	uM		CFTR	-	GI(Protien) :
PubChem	None	uM		CFTR	-	GI(Protien) :
PubChem	None	uM		CYP1A2	-	GI(Protien) :
PubChem	None	uM		CYP1A2	-	GI(Protien) :
PubChem	Potency	uM	0.398	CYP2D6	-	GI(Protien) :
PubChem	None	uM		CYP2D6	-	GI(Protien) :
PubChem	Potency	uM	12.589	CYP3A4	-	GI(Protien) :
PubChem	None	uM		CYP3A4	-	GI(Protien) :
PubChem	Potency	uM	39.811	EHMT2	-	GI(Protien) :
PubChem	Potency	uM	4.109	GMNN	-	GI(Protien) :
PubChem	Potency	uM	6.310	GMNN	-	GI(Protien) :
PubChem	Potency	uM	2.239	HTT	-	GI(Protien) :
PubChem	Potency	uM	3.548	HTT	-	GI(Protien) :
PubChem	None	uM		HTT	-	GI(Protien) :
PubChem	None	uM		IL1B	-	GI(Protien) :
PubChem	None	uM		ITPKC	-	GI(Protien) :
PubChem	None	uM		MAPT	-	GI(Protien) :
PubChem	Potency	uM	0.517	NPC1	-	GI(Protien) :
PubChem	IC50	uM	0.834	NR0B1	-	GI(Protien) :
PubChem	None	uM		NR0B1	-	GI(Protien) :
PubChem	None	uM		NR0B1	-	GI(Protien) :
PubChem	None	uM		PAK4	-	GI(Protien) :
PubChem	None	uM		PAK6	-	GI(Protien) :
PubChem	None	uM		PAK7	-	GI(Protien) :
PubChem	Potency	uM	2.593	PARK2	-	GI(Protien) :
PubChem	Potency	uM	5.805	PARK2	-	GI(Protien) :
PubChem	None	uM		PIM1	-	GI(Protien) :
PubChem	Potency	uM	0.366	RAB9A	-	GI(Protien) :
PubChem	Potency	uM	0.920	SMAD3	-	GI(Protien) :
PubChem	Potency	uM	2.818	SMAD3	-	GI(Protien) :
PubChem	Potency	uM	2.909	SMAD3	-	GI(Protien) :
PubChem	None	uM		SMARCA2	-	GI(Protien) :
PubChem	None	uM		SMARCA2	-	GI(Protien) :
PubChem	Potency	uM	11.220	SMN2	-	GI(Protien) :
PubChem	Potency	uM	15.849	SMN2	-	GI(Protien) :
PubChem	None	uM		STK33	-	GI(Protien) :
PubChem	Potency	uM	0.159	THPO	-	GI(Protien) :
ChEMBL	Potency	nM	410.800	ATAD5	-	Target : CHEMBL1741209
ChEMBL	AC50	nM	158.490	CYP1A2	-	Target : CHEMBL3356
ChEMBL	AC50	nM	398.110	CYP2D6	-	Target : CHEMBL289
ChEMBL	Potency	nM	398.100	CYP2D6	-	Target : CHEMBL289
ChEMBL	AC50	nM	12589.200	CYP3A4	-	Target : CHEMBL340
ChEMBL	Potency	nM	12589.300	CYP3A4	-	Target : CHEMBL340
ChEMBL	Potency	nM	39810.700	EHMT2	-	Target : CHEMBL6032
ChEMBL	Potency	nM	6309.600	GMNN	-	Target : CHEMBL1293278
ChEMBL	Potency	nM	3548.100	HTT	-	Target : CHEMBL5514
ChEMBL	Potency	nM	2238.700	HTT	-	Target : CHEMBL5514
ChEMBL	Potency	nM	517.400	NPC1	-	Target : CHEMBL1293277
ChEMBL	Potency	nM	366.300	RAB9A	-	Target : CHEMBL1293294
ChEMBL	Potency	nM	11220.200	SMN1; SMN2	-	Target : CHEMBL1293232
ChEMBL	Potency	nM	15848.900	SMN1; SMN2	-	Target : CHEMBL1293232
ChEMBL	Potency	nM	158.500	THPO	-	Target : CHEMBL1293256

Download gene sets

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