Tan Lab | DSigDB

Gene Set: D4 : CTD - 3-(4-(4-chlorophenyl-4-hydroxypiperidino)methyl)indole

Collection

D4 : CTD

Chemical Name

3-(4-(4-chlorophenyl-4-hydroxypiperidino)methyl)indole ( From PubChem : L-741,626 )

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
340.847 g/mol	2	2	4.2428	True

Structure

InChI

InChI=1S/C20H21ClN2O/c21-17-7-5-16(6-8-17)20(24)9-11-23(12-10-20)14-15-13-22-19-4-2-1-3-18(15)19/h1-8,13,22,24H,9-12,14H2

InChIKey

Links

Gene (15 / 34)

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Source	Type	Unit	Value	Gene	PMID	Other
CTD	affects(binding)			DRD2		C104750
CTD	decreases(activity)			DRD2		C104750
CTD	affects(binding)			DRD3		C104750
CTD	decreases(activity)			DRD3		C104750
PubChem	None	uM		CHRM1	-	GI(Protien) :
PubChem	None	uM		CYP1A2	-	GI(Protien) :
PubChem	None	uM		CYP1A2	-	GI(Protien) :
PubChem	Potency	uM	0.316	CYP2D6	-	GI(Protien) :
PubChem	None	uM		CYP2D6	-	GI(Protien) :
PubChem	Potency	uM	2.512	CYP3A4	-	GI(Protien) :
PubChem	Potency	uM	6.310	DRD1	-	GI(Protien) :
PubChem	Potency	uM	0.046	DRD2	-	GI(Protien) :
PubChem	None	uM		DRD2	-	GI(Protien) :
PubChem	None	uM		DRD3	-	GI(Protien) :
PubChem	None	uM		HTR2A		GI(Protien) :
PubChem	None	uM		HTR2B		GI(Protien) :
PubChem	Potency	uM	18.356	IDH1	-	GI(Protien) :
PubChem	Potency	uM	0.794	KCNH2		GI(Protien) :
PubChem	Potency	uM	0.794	KCNH2		GI(Protien) :
PubChem	None	uM		MAP4K2	-	GI(Protien) :
PubChem	Potency	uM	2.328	MTOR	-	GI(Protien) :
PubChem	Potency	uM	8.414	TDP1	-	GI(Protien) :
PubChem	Potency	uM	9.200	TDP1	-	GI(Protien) :
PubChem	Potency	uM	12.995	TDP1	-	GI(Protien) :
PubChem	Potency	uM	16.360	TDP1	-	GI(Protien) :
PubChem	Potency	uM	21.136	TDP1	-	GI(Protien) :
PubChem	Potency	uM	10.000	THPO	-	GI(Protien) :
ChEMBL	AC50	nM	31622.800	CYP1A2	-	Target : CHEMBL3356
ChEMBL	Potency	nM	316.200	CYP2D6	-	Target : CHEMBL289
ChEMBL	AC50	nM	316.230	CYP2D6	-	Target : CHEMBL289
ChEMBL	Potency	nM	2511.900	CYP3A4	-	Target : CHEMBL340
ChEMBL	Potency	nM	6309.600	DRD1	-	Target : CHEMBL2056
ChEMBL	Potency	nM	2328.100	MTOR	-	Target : CHEMBL2842
ChEMBL	Potency	nM	10000.000	THPO	-	Target : CHEMBL1293256

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