Tan Lab | DSigDB

Gene Set: D1 - Approved - KETOTIFEN

Collection

D1 : Approved

Chemical Name

KETOTIFEN

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

Molecular Weight	Hydrogen Bond Donor Count	Hydrogen Bond Acceptor Count	cLogP	Lipinski Rule
309.425 g/mol	0	3	3.9523	True

Structure

InChI

InChI=1S/C19H19NOS/c1-20-9-6-13(7-10-20)18-15-5-3-2-4-14(15)12-17(21)19-16(18)8-11-22-19/h2-5,8,11H,6-7,9-10,12H2,1H3

InChIKey

Links

Gene (17 / 33)

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Source	Type	Unit	Value	Gene	PMID	Other
PubChem	IC50	uM	3.727	ADRA1D	-	GI(Protien) :
PubChem	IC50	uM	2.187	ADRA2A	-	GI(Protien) :
PubChem	IC50	uM	0.710	ADRA2B	-	GI(Protien) :
PubChem	IC50	uM	1.112	CHRM1	-	GI(Protien) :
PubChem	IC50	uM	0.838	CHRM2	-	GI(Protien) :
PubChem	IC50	uM	2.209	CHRM3	-	GI(Protien) :
PubChem	IC50	uM	1.009	CHRM4	-	GI(Protien) :
PubChem	IC50	uM	0.374	CHRM5	-	GI(Protien) :
PubChem	Potency	uM	3.162	CYP2D6	-	GI(Protien) :
PubChem	Potency	uM	5.012	CYP2D6	-	GI(Protien) :
PubChem	Potency	uM	7.943	CYP2D6	-	GI(Protien) :
PubChem		uM		CYP2D6	-	GI(Protien) :
PubChem	IC50	uM	0.872	DRD1	-	GI(Protien) :
PubChem	Potency	uM	1.995	DRD1	-	GI(Protien) :
PubChem	IC50	uM	1.963	DRD3	-	GI(Protien) :
PubChem	Ki	uM	0.000	HRH1		GI(Protien) :
PubChem	IC50	uM	0.001	HRH1		GI(Protien) :
PubChem	IC50	uM	0.001	HRH1	-	GI(Protien) :
PubChem	IC50	uM	4.129	HRH2	-	GI(Protien) :
PubChem	Ki	uM	0.016	HTR2A		GI(Protien) :
PubChem	IC50	uM	0.031	HTR2A	-	GI(Protien) :
PubChem	Ki	uM	0.032	HTR2B		GI(Protien) :
PubChem	IC50	uM	0.046	HTR2B	-	GI(Protien) :
PubChem	IC50	uM	0.160	HTR2C	-	GI(Protien) :
PubChem	Ki	uM	0.200	HTR2C		GI(Protien) :
PubChem	IC50	uM	1.141	HTR6	-	GI(Protien) :
ChEMBL	AC50	nM	5011.870	CYP2D6	-	Target : CHEMBL289
ChEMBL	Potency	nM	5011.900	CYP2D6	-	Target : CHEMBL289
ChEMBL	Potency	nM	3162.300	CYP2D6	-	Target : CHEMBL289
ChEMBL	Potency	nM	7943.300	CYP2D6	-	Target : CHEMBL289
ChEMBL	AC50	nM	7943.280	CYP2D6	-	Target : CHEMBL289
ChEMBL	AC50	nM	3162.280	CYP2D6	-	Target : CHEMBL289
ChEMBL	Potency	nM	1995.300	DRD1	-	Target : CHEMBL2056

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