Tan Lab | DSigDB

Gene Set: D4 : TTD - CP-339818

Collection

D4 : TTD

Chemical Name

CP-339818 ( From PubChem : CP 339818 )

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
304.429 g/mol	0	2	4.7805	True

Structure

InChI

InChI=1S/C21H24N2/c1-2-3-9-15-22-20-14-16-23(17-18-10-5-4-6-11-18)21-13-8-7-12-19(20)21/h4-8,10-14,16H,2-3,9,15,17H2,1H3/b22-20+

InChIKey

Links

Gene (7 / 18)

⊖ Less

Source	Type	Unit	Value	Gene	PMID	Other
TTD	Inhibitor			KCNA3		Research target
PubChem	None	uM		CYP1A2	-	GI(Protien) :
PubChem	Potency	uM	0.251	CYP2C19	-	GI(Protien) :
PubChem	None	uM		CYP2C19	-	GI(Protien) :
PubChem	Potency	uM	0.316	CYP2C9	-	GI(Protien) :
PubChem	None	uM		CYP2C9	-	GI(Protien) :
PubChem	Potency	uM	10.000	CYP2D6	-	GI(Protien) :
PubChem	None	uM		CYP2D6	-	GI(Protien) :
PubChem	Potency	uM	2.114	TDP1	-	GI(Protien) :
PubChem	Potency	uM	2.661	TDP1	-	GI(Protien) :
PubChem	Potency	uM	15.849	TSHR	-	GI(Protien) :
ChEMBL	AC50	nM	251.190	CYP2C19	-	Target : CHEMBL3622
ChEMBL	Potency	nM	251.200	CYP2C19	-	Target : CHEMBL3622
ChEMBL	Potency	nM	316.200	CYP2C9	-	Target : CHEMBL3397
ChEMBL	AC50	nM	316.230	CYP2C9	-	Target : CHEMBL3397
ChEMBL	AC50	nM	10000.000	CYP2D6	-	Target : CHEMBL289
ChEMBL	Potency	nM	10000.000	CYP2D6	-	Target : CHEMBL289
ChEMBL	Potency	nM	15848.900	TSHR	-	Target : CHEMBL1963

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