Tan Lab | DSigDB

Gene Set: D4 : TTD - CP-55940

Collection

D4 : TTD

Chemical Name

CP-55940 ( From PubChem : CP-55940 )

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
376.573 g/mol	3	3	5.6573	False(3/4)

Structure

InChI

InChI=1S/C24H40O3/c1-4-5-6-7-14-24(2,3)19-11-13-21(23(27)16-19)22-17-20(26)12-10-18(22)9-8-15-25/h11,13,16,18,20,22,25-27H,4-10,12,14-15,17H2,1-3H3/t18-,20-,22-/m1/s1

InChIKey

YNZFFALZMRAPHQ-SYYKKAFVSA-N

Links

Gene (15 / 23)

⊖ Less

Source	Type	Unit	Value	Gene	PMID	Other
TTD	Inhibitor			CNR1		Successful target
TTD	Inhibitor			CNR2		Clinical trial target
PubChem	None	uM		ADAM10	-	GI(Protien) :
PubChem	Potency	uM	16.354	ATAD5	-	GI(Protien) :
PubChem	Potency	uM	10.000	ATXN2	-	GI(Protien) :
PubChem	Potency	uM	25.119	CYP2C9	-	GI(Protien) :
PubChem	None	uM		DRD3	-	GI(Protien) :
PubChem	None	uM		DRD3	-	GI(Protien) :
PubChem	Potency	uM	2.593	IDH1	-	GI(Protien) :
PubChem	None	uM		IL1B	-	GI(Protien) :
PubChem	Potency	uM	8.912	KCNH2		GI(Protien) :
PubChem	Potency	uM	8.912	KCNH2		GI(Protien) :
PubChem	None	uM		KCNK3	-	GI(Protien) :
PubChem	None	uM		OPRM1	-	GI(Protien) :
PubChem	None	uM		PPP5C	-	GI(Protien) :
PubChem	Potency	uM	12.589	SMAD3	-	GI(Protien) :
PubChem	Potency	uM	18.356	TDP1	-	GI(Protien) :
PubChem	Potency	uM	20.596	TDP1	-	GI(Protien) :
ChEMBL	Potency	nM	16353.500	ATAD5	-	Target : CHEMBL1741209
ChEMBL	Activity	-		CNR1	-	Target : CHEMBL218
ChEMBL	Activity	-		CNR1	-	Target : CHEMBL218
ChEMBL	Activity	-		CNR2	-	Target : CHEMBL253
ChEMBL	Potency	nM	25118.900	CYP2C9	-	Target : CHEMBL3397

Download gene sets

gmt, text, Detailed text