Tan Lab | DSigDB

Gene Set: D4 : TTD - Apomorphine

Collection

D4 : TTD

Chemical Name

Apomorphine ( From PubChem : APOMORPHINE )

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

Molecular Weight	Hydrogen Bond Donor Count	Hydrogen Bond Acceptor Count	cLogP	Lipinski Rule
267.322 g/mol	2	3	2.7878	True

Structure

InChI

InChI=1S/C17H17NO2/c1-18-8-7-10-3-2-4-12-15(10)13(18)9-11-5-6-14(19)17(20)16(11)12/h2-6,13,19-20H,7-9H2,1H3/t13-/m1/s1

InChIKey

VMWNQDUVQKEIOC-CYBMUJFWSA-N

Links

Gene (18 / 39)

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Source	Type	Unit	Value	Gene	PMID	Other
TTD	Agonist			DRD5		Successful target
TTD	Drug(s)			DRD5		Successful target
PubChem	AhR Potency (uM)	uM	2.660	AHR	-	GI(Protien) :
PubChem	Potency-Replicate_1	uM	5.956	AHR	-	GI(Protien) :
PubChem	Potency-Replicate_1	uM	23.915	AR	-	GI(Protien) :
PubChem	None	uM		CYP1A2	-	GI(Protien) :
PubChem	None	uM		CYP1A2	-	GI(Protien) :
PubChem	Potency	uM	12.589	CYP2D6	-	GI(Protien) :
PubChem	None	uM		CYP2D6	-	GI(Protien) :
PubChem	None	uM		DRD3	-	GI(Protien) :
PubChem	None	uM		DRD3	-	GI(Protien) :
PubChem	Potency	uM	1.413	EHMT2	-	GI(Protien) :
PubChem	None	uM		HTR1A		GI(Protien) :
PubChem	None	uM		HTR2A		GI(Protien) :
PubChem	None	uM		HTR2B		GI(Protien) :
PubChem	None	uM		HTR2C		GI(Protien) :
PubChem	Potency	uM	17.783	MAPT	-	GI(Protien) :
PubChem	Potency	uM	19.953	MAPT	-	GI(Protien) :
PubChem	Potency	uM	22.387	MAPT	-	GI(Protien) :
PubChem	Ratio Potency (uM)	uM	6.682	NFE2L2	-	GI(Protien) :
PubChem	None	uM		STK33	-	GI(Protien) :
PubChem	Potency	uM	1.884	TDP1	-	GI(Protien) :
PubChem	Potency	uM	2.986	TDP1	-	GI(Protien) :
PubChem	Potency	uM	3.759	TDP1	-	GI(Protien) :
PubChem	Potency	uM	5.957	TDP1	-	GI(Protien) :
PubChem	Potency	uM	6.310	TP53	-	GI(Protien) :
PubChem	Potency	uM	25.119	TP53	-	GI(Protien) :
PubChem	Potency	uM	35.481	VDR	-	GI(Protien) :
ChEMBL	AC50	nM	15848.900	CYP1A2	-	Target : CHEMBL3356
ChEMBL	AC50	nM	12589.200	CYP2D6	-	Target : CHEMBL289
ChEMBL	Potency	nM	12589.300	CYP2D6	-	Target : CHEMBL289
ChEMBL	Potency	nM	1412.500	EHMT2	-	Target : CHEMBL6032
ChEMBL	Potency	nM	25118.900	HSD17B10	-	Target : CHEMBL4159
ChEMBL	Potency	nM	22387.200	MAPT	-	Target : CHEMBL1293224
ChEMBL	Potency	nM	22387.200	MAPT	-	Target : CHEMBL1293224
ChEMBL	Potency	nM	17782.800	MAPT	-	Target : CHEMBL1293224
ChEMBL	Potency	nM	19952.600	MAPT	-	Target : CHEMBL1293224
ChEMBL	Potency	nM	6309.600	TP53	-	Target : CHEMBL4096
ChEMBL	Potency	nM	25118.900	TP53	-	Target : CHEMBL4096

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