Tan Lab | DSigDB

Gene Set: D4 : TTD - AM-251

Collection

D4 : TTD

Chemical Name

AM-251 ( From PubChem : AM251 )

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
555.239 g/mol	1	5	6.2186	False(2/4)

Structure

InChI

InChI=1S/C22H21Cl2IN4O/c1-14-20(22(30)27-28-11-3-2-4-12-28)26-29(19-10-7-16(23)13-18(19)24)21(14)15-5-8-17(25)9-6-15/h5-10,13H,2-4,11-12H2,1H3,(H,27,30)

InChIKey

BUZAJRPLUGXRAB-UHFFFAOYSA-N

Links

Gene (10 / 21)

⊖ Less

Source	Type	Unit	Value	Gene	PMID	Other
TTD	Antagonist			CNR1		Successful target
TTD	Antagonist			CNR1		Successful target
PubChem	None	uM		CACNA1H	-	GI(Protien) :
PubChem	Potency	uM	7.943	CYP2C19	-	GI(Protien) :
PubChem	None	uM		CYP2C19	-	GI(Protien) :
PubChem	Potency	uM	1.995	CYP2C9	-	GI(Protien) :
PubChem	None	uM		CYP2C9	-	GI(Protien) :
PubChem	Potency	uM	3.981	CYP2D6	-	GI(Protien) :
PubChem	None	uM		CYP2D6	-	GI(Protien) :
PubChem	EC50	uM		GPR55	-	GI(Protien) :
PubChem	Potency	uM	10.000	NPSR1	-	GI(Protien) :
PubChem	Potency	uM	29.935	RGS4	-	GI(Protien) :
PubChem	Potency	uM	29.855	TDP1	-	GI(Protien) :
ChEMBL	Activity	-		CNR2	-	Target : CHEMBL253
ChEMBL	Potency	nM	7943.300	CYP2C19	-	Target : CHEMBL3622
ChEMBL	AC50	nM	7943.280	CYP2C19	-	Target : CHEMBL3622
ChEMBL	AC50	nM	1995.260	CYP2C9	-	Target : CHEMBL3397
ChEMBL	Potency	nM	1995.300	CYP2C9	-	Target : CHEMBL3397
ChEMBL	AC50	nM	3981.070	CYP2D6	-	Target : CHEMBL289
ChEMBL	Potency	nM	3981.100	CYP2D6	-	Target : CHEMBL289
ChEMBL	Potency	nM	10000.000	NPSR1	-	Target : CHEMBL5162

Download gene sets

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