Tan Lab | DSigDB

Gene Set: D4 : TTD - L-733060

Collection

D4 : TTD

Chemical Name

L-733060 ( From PubChem : L-733060 )

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
403.361 g/mol	1	2	6.0629	False(3/4)

Structure

InChI

InChI=1S/C20H19F6NO/c21-19(22,23)15-9-13(10-16(11-15)20(24,25)26)12-28-17-7-4-8-27-18(17)14-5-2-1-3-6-14/h1-3,5-6,9-11,17-18,27H,4,7-8,12H2/t17-,18-/m0/s1

InChIKey

FCDRFVCGMLUYPG-ROUUACIJSA-N

Links

Gene (8 / 21)

⊖ Less

Source	Type	Unit	Value	Gene	PMID	Other
TTD	Inhibitor			TACR1		Successful target
PubChem	None	uM		CYP1A2	-	GI(Protien) :
PubChem	Potency	uM	0.010	CYP2C19	-	GI(Protien) :
PubChem	None	uM		CYP2C19	-	GI(Protien) :
PubChem	Potency	uM	0.016	CYP2C9	-	GI(Protien) :
PubChem	None	uM		CYP2C9	-	GI(Protien) :
PubChem	Potency	uM	0.050	CYP2D6	-	GI(Protien) :
PubChem	None	uM		CYP2D6	-	GI(Protien) :
PubChem	Potency	uM	10.593	TDP1	-	GI(Protien) :
PubChem	Potency	uM	13.336	TDP1	-	GI(Protien) :
PubChem	Potency	uM	12.589	TP53	-	GI(Protien) :
PubChem	Potency	uM	19.953	TSHR	-	GI(Protien) :
ChEMBL	Potency	nM	10.000	CYP2C19	-	Target : CHEMBL3622
ChEMBL	AC50	nM	10.000	CYP2C19	-	Target : CHEMBL3622
ChEMBL	AC50	nM	15.850	CYP2C9	-	Target : CHEMBL3397
ChEMBL	Potency	nM	15.800	CYP2C9	-	Target : CHEMBL3397
ChEMBL	AC50	nM	50.120	CYP2D6	-	Target : CHEMBL289
ChEMBL	Potency	nM	50.100	CYP2D6	-	Target : CHEMBL289
ChEMBL	Activity	-		TACR1	-	Target : CHEMBL249
ChEMBL	Potency	nM	12589.300	TP53	-	Target : CHEMBL4096
ChEMBL	Potency	nM	19952.600	TSHR	-	Target : CHEMBL1963

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