Tan Lab | DSigDB

Gene Set: D4 : TTD - A-315456

Collection

D4 : TTD

Chemical Name

A-315456 ( From PubChem : A-315456 )

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
345.459 g/mol	2	4	5.0911	False(3/4)

Structure

InChI

InChI=1S/C18H23N3O2S/c1-2-24(22,23)21-16-10-6-9-15(11-16)18(17-12-19-13-20-17)14-7-4-3-5-8-14/h6,9-13,21H,2-5,7-8H2,1H3,(H,19,20)

InChIKey

Links

Gene (8 / 22)

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Source	Type	Unit	Value	Gene	PMID	Other
TTD	Inhibitor			ADRA1A		Clinical trial target
PubChem	None	uM		AHR	-	GI(Protien) :
PubChem	None	uM		CYP1A2	-	GI(Protien) :
PubChem	None	uM		CYP1A2	-	GI(Protien) :
PubChem	Potency	uM	0.008	CYP2C19	-	GI(Protien) :
PubChem	None	uM		CYP2C19	-	GI(Protien) :
PubChem	Potency	uM	0.631	CYP2C9	-	GI(Protien) :
PubChem	None	uM		CYP2C9	-	GI(Protien) :
PubChem	Potency	uM	7.943	CYP2D6	-	GI(Protien) :
PubChem	None	uM		CYP2D6	-	GI(Protien) :
PubChem	Potency	uM	0.316	CYP3A4	-	GI(Protien) :
PubChem	None	uM		CYP3A4	-	GI(Protien) :
PubChem	Potency	uM	20.596	TDP1	-	GI(Protien) :
ChEMBL	AC50	nM	316.230	CYP1A2	-	Target : CHEMBL3356
ChEMBL	AC50	nM	7.940	CYP2C19	-	Target : CHEMBL3622
ChEMBL	Potency	nM	7.900	CYP2C19	-	Target : CHEMBL3622
ChEMBL	AC50	nM	630.960	CYP2C9	-	Target : CHEMBL3397
ChEMBL	Potency	nM	631.000	CYP2C9	-	Target : CHEMBL3397
ChEMBL	Potency	nM	7943.300	CYP2D6	-	Target : CHEMBL289
ChEMBL	AC50	nM	7943.280	CYP2D6	-	Target : CHEMBL289
ChEMBL	AC50	nM	316.230	CYP3A4	-	Target : CHEMBL340
ChEMBL	Potency	nM	316.200	CYP3A4	-	Target : CHEMBL340

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