Tan Lab | DSigDB

Gene Set: D4 : TTD - Haloperidol

Collection

D4 : TTD

Chemical Name

Haloperidol ( From PubChem : HALOPERIDOL )

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

Molecular Weight	Hydrogen Bond Donor Count	Hydrogen Bond Acceptor Count	cLogP	Lipinski Rule
375.864 g/mol	1	3	4.3635	True

Structure

InChI

InChI=1S/C21H23ClFNO2/c22-18-7-5-17(6-8-18)21(26)11-14-24(15-12-21)13-1-2-20(25)16-3-9-19(23)10-4-16/h3-10,26H,1-2,11-15H2

InChIKey

LNEPOXFFQSENCJ-UHFFFAOYSA-N

Links

Gene (19 / 48)

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Source	Type	Unit	Value	Gene	PMID	Other
TTD	Antagonist			DRD2		Successful target
TTD	Drug(s)			DRD2		Successful target
PubChem	AR Potency (uM)	uM	29.849	AR	-	GI(Protien) :
PubChem	AR Potency (uM)	uM	40.856	AR	-	GI(Protien) :
PubChem	Potency-Replicate_1	uM	61.131	AR	-	GI(Protien) :
PubChem	None	uM		CHRM4	-	GI(Protien) :
PubChem	Potency	uM	5.012	CYP2D6	-	GI(Protien) :
PubChem	Potency	uM	6.310	CYP2D6	-	GI(Protien) :
PubChem	Potency	uM	15.849	CYP2D6	-	GI(Protien) :
PubChem	None	uM		CYP2D6	-	GI(Protien) :
PubChem	Potency	uM	3.162	CYP3A4	-	GI(Protien) :
PubChem	Potency	uM	0.447	DRD1	-	GI(Protien) :
PubChem	Potency	uM	22.387	DRD1	-	GI(Protien) :
PubChem	None	uM		DRD1	-	GI(Protien) :
PubChem	None	uM		DRD1	-	GI(Protien) :
PubChem	None	uM		DRD2	-	GI(Protien) :
PubChem	None	uM		DRD3	-	GI(Protien) :
PubChem	Potency	uM	20.596	GMNN	-	GI(Protien) :
PubChem	None	uM		HTR1A		GI(Protien) :
PubChem	None	uM		HTR1A		GI(Protien) :
PubChem	None	uM		HTR1A		GI(Protien) :
PubChem	None	uM		HTR1A		GI(Protien) :
PubChem	None	uM		HTR1D		GI(Protien) :
PubChem	None	uM		HTR2A		GI(Protien) :
PubChem	None	uM		HTR2A		GI(Protien) :
PubChem	None	uM		HTR2A		GI(Protien) :
PubChem	None	uM		HTR2A		GI(Protien) :
PubChem	None	uM		HTR2B		GI(Protien) :
PubChem	None	uM		HTR7		GI(Protien) :
PubChem	None	uM		IL1B	-	GI(Protien) :
PubChem	Potency	uM	0.251	KCNH2		GI(Protien) :
PubChem	Potency	uM	0.251	KCNH2		GI(Protien) :
PubChem	Potency	uM	23.281	MTOR	-	GI(Protien) :
PubChem	Potency-Replicate_1	uM	7.943	NR1I2	-	GI(Protien) :
PubChem	Potency	uM	16.360	TDP1	-	GI(Protien) :
PubChem	Potency	uM	26.609	TDP1	-	GI(Protien) :
PubChem	Potency	uM	29.855	TDP1	-	GI(Protien) :
ChEMBL	AC50	nM	5011.870	CYP2D6	-	Target : CHEMBL289
ChEMBL	AC50	nM	6309.570	CYP2D6	-	Target : CHEMBL289
ChEMBL	Potency	nM	15848.900	CYP2D6	-	Target : CHEMBL289
ChEMBL	Potency	nM	5011.900	CYP2D6	-	Target : CHEMBL289
ChEMBL	Potency	nM	6309.600	CYP2D6	-	Target : CHEMBL289
ChEMBL	Potency	nM	3162.300	CYP3A4	-	Target : CHEMBL340
ChEMBL	Potency	nM	22387.200	DRD1	-	Target : CHEMBL2056
ChEMBL	Potency	nM	446.700	DRD1	-	Target : CHEMBL2056
ChEMBL	Activity	-		DRD2	-	Target : CHEMBL217
ChEMBL	Potency	nM	23280.900	MTOR	-	Target : CHEMBL2842
ChEMBL	Activity	-		SIGMAR1	-	Target : CHEMBL287

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