Tan Lab | DSigDB

Gene Set: D4 : TTD - (S)APOMORPHINE

Collection

D4 : TTD

Chemical Name

(S)APOMORPHINE ( From PubChem : CHEMBL416288 )

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
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-/m0/s1

InChIKey

Links

Gene (10 / 25)

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Source	Type	Unit	Value	Gene	PMID	Other
TTD	Inhibitor			DRD1		Successful target
PubChem	None	uM		CYP1A2	-	GI(Protien) :
PubChem	None	uM		CYP1A2	-	GI(Protien) :
PubChem	Potency	uM	2.512	HIF1A	-	GI(Protien) :
PubChem	Potency	uM	28.184	MAPT	-	GI(Protien) :
PubChem	Potency	uM	28.184	MAPT	-	GI(Protien) :
PubChem	Potency	uM	7.499	TDP1	-	GI(Protien) :
PubChem	Potency	uM	7.499	TDP1	-	GI(Protien) :
PubChem	Potency	uM	12.589	THPO	-	GI(Protien) :
PubChem	Potency	uM	10.000	TP53	-	GI(Protien) :
PubChem	Potency	uM	19.953	TP53	-	GI(Protien) :
PubChem	Potency	uM	31.623	TP53	-	GI(Protien) :
PubChem	Potency	uM	31.623	VDR	-	GI(Protien) :
ChEMBL	AC50	nM	12589.200	CYP1A2	-	Target : CHEMBL3356
ChEMBL	Potency	nM	2511.900	HIF1A	-	Target : CHEMBL4261
ChEMBL	Potency	nM	1584.900	HSD17B10	-	Target : CHEMBL4159
ChEMBL	Potency	nM	19952.600	HSD17B10	-	Target : CHEMBL4159
ChEMBL	Potency	nM	31622.800	KDM4E	-	Target : CHEMBL1293226
ChEMBL	Potency	nM	28183.800	MAPT	-	Target : CHEMBL1293224
ChEMBL	Potency	nM	28183.800	MAPT	-	Target : CHEMBL1293224
ChEMBL	Potency	nM	28183.800	MAPT	-	Target : CHEMBL1293224
ChEMBL	Potency	nM	12589.300	THPO	-	Target : CHEMBL1293256
ChEMBL	Potency	nM	10000.000	TP53	-	Target : CHEMBL4096
ChEMBL	Potency	nM	19952.600	TP53	-	Target : CHEMBL4096
ChEMBL	Potency	nM	31622.800	TP53	-	Target : CHEMBL4096

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