Tan Lab | DSigDB

Gene Set: D4 : TTD - DIHYDREXIDINE

Collection

D4 : TTD

Chemical Name

DIHYDREXIDINE ( From PubChem : DIHYDREXIDINE )

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	3	3	2.9765	True

Structure

InChI

InChI=1S/C17H17NO2/c19-15-7-10-5-6-14-17(13(10)8-16(15)20)12-4-2-1-3-11(12)9-18-14/h1-4,7-8,14,17-20H,5-6,9H2/t14-,17+/m1/s1

InChIKey

Links

Gene (11 / 22)

⊖ Less

Source	Type	Unit	Value	Gene	PMID	Other
TTD	Inhibitor			DRD1		Successful target
TTD	Inhibitor			DRD1		Successful target
TTD	Inhibitor			DRD3		Successful target
TTD	Inhibitor			DRD4		Clinical trial target
TTD	Inhibitor			DRD5		Successful target
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	Potency	uM	6.310	NFKB1	-	GI(Protien) :
PubChem	Potency	uM	12.589	TDP1	-	GI(Protien) :
PubChem	Potency	uM	14.125	TDP1	-	GI(Protien) :
PubChem	Potency	uM	10.000	THPO	-	GI(Protien) :
ChEMBL	AC50	nM	12589.200	CYP1A2	-	Target : CHEMBL3356
ChEMBL	AC50	nM	12589.200	CYP2D6	-	Target : CHEMBL289
ChEMBL	Potency	nM	12589.300	CYP2D6	-	Target : CHEMBL289
ChEMBL	Activity	-		DRD1	-	Target : CHEMBL2056
ChEMBL	Activity	-		DRD2	-	Target : CHEMBL217
ChEMBL	Potency	nM	631.000	HSD17B10	-	Target : CHEMBL4159
ChEMBL	Potency	nM	3162.300	HSD17B10	-	Target : CHEMBL4159
ChEMBL	Potency	nM	6309.600	NFKB1	-	Target : CHEMBL3251
ChEMBL	Potency	nM	10000.000	THPO	-	Target : CHEMBL1293256

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