Tan Lab | DSigDB

Gene Set: D4 : TTD - Thioperamide

Collection

D4 : TTD

Chemical Name

Thioperamide ( From PubChem : THIOPERAMIDE )

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
292.443 g/mol	2	4	3.1251	True

Structure

InChI

InChI=1S/C15H24N4S/c20-15(18-13-4-2-1-3-5-13)19-8-6-12(7-9-19)14-10-16-11-17-14/h10-13H,1-9H2,(H,16,17)(H,18,20)

InChIKey

QKDDJDBFONZGBW-UHFFFAOYSA-N

Links

Gene (7 / 35)

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Source	Type	Unit	Value	Gene	PMID	Other
TTD	Antagonist			HRH3		Clinical trial target
TTD	Antagonist			HRH4		Research target
PubChem	None	uM		CYP1A2	-	GI(Protien) :
PubChem	None	uM		CYP1A2	-	GI(Protien) :
PubChem	Potency	uM	0.032	CYP2C19	-	GI(Protien) :
PubChem	Potency	uM	0.126	CYP2C19	-	GI(Protien) :
PubChem	None	uM		CYP2C19	-	GI(Protien) :
PubChem	Potency	uM	0.159	CYP2C9	-	GI(Protien) :
PubChem	Potency	uM	0.501	CYP2C9	-	GI(Protien) :
PubChem	None	uM		CYP2C9	-	GI(Protien) :
PubChem	Potency	uM	12.589	CYP2D6	-	GI(Protien) :
PubChem	Potency	uM	15.849	CYP2D6	-	GI(Protien) :
PubChem	None	uM		CYP2D6	-	GI(Protien) :
PubChem	Potency	uM	0.079	CYP3A4	-	GI(Protien) :
PubChem	Potency	uM	0.631	CYP3A4	-	GI(Protien) :
PubChem	None	uM		CYP3A4	-	GI(Protien) :
ChEMBL	AC50	nM	12589.200	CYP1A2	-	Target : CHEMBL3356
ChEMBL	AC50	nM	125.890	CYP2C19	-	Target : CHEMBL3622
ChEMBL	Potency	nM	125.900	CYP2C19	-	Target : CHEMBL3622
ChEMBL	AC50	nM	31.620	CYP2C19	-	Target : CHEMBL3622
ChEMBL	Potency	nM	31.600	CYP2C19	-	Target : CHEMBL3622
ChEMBL	AC50	nM	158.490	CYP2C9	-	Target : CHEMBL3397
ChEMBL	Potency	nM	501.200	CYP2C9	-	Target : CHEMBL3397
ChEMBL	Potency	nM	158.500	CYP2C9	-	Target : CHEMBL3397
ChEMBL	AC50	nM	501.190	CYP2C9	-	Target : CHEMBL3397
ChEMBL	Potency	nM	15848.900	CYP2D6	-	Target : CHEMBL289
ChEMBL	AC50	nM	12589.200	CYP2D6	-	Target : CHEMBL289
ChEMBL	AC50	nM	15848.900	CYP2D6	-	Target : CHEMBL289
ChEMBL	Potency	nM	12589.300	CYP2D6	-	Target : CHEMBL289
ChEMBL	AC50	nM	630.960	CYP3A4	-	Target : CHEMBL340
ChEMBL	AC50	nM	79.430	CYP3A4	-	Target : CHEMBL340
ChEMBL	Potency	nM	631.000	CYP3A4	-	Target : CHEMBL340
ChEMBL	Potency	nM	79.400	CYP3A4	-	Target : CHEMBL340
ChEMBL	Activity	-		HRH4	-	Target : CHEMBL3759
ChEMBL	Activity	-		HRH4	-	Target : CHEMBL3759

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