Tan Lab | DSigDB

Gene Set: D4 : TTD - SB-203580

Collection

D4 : TTD

Chemical Name

SB-203580 ( From PubChem : SB 203580 )

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
377.435 g/mol	1	3	5.5479	False(3/4)

Structure

InChI

InChI=1S/C21H16FN3OS/c1-27(26)18-8-4-16(5-9-18)21-24-19(14-2-6-17(22)7-3-14)20(25-21)15-10-12-23-13-11-15/h2-13H,1H3,(H,24,25)/t27-/m1/s1

InChIKey

CDMGBJANTYXAIV-HHHXNRCGSA-N

Links

Gene (34 / 61)

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Source	Type	Unit	Value	Gene	PMID	Other
TTD	Inhibitor			AKT1		Clinical trial target
TTD	Inhibitor			AKT2		Clinical trial target
TTD	Inhibitor			AKT3		Clinical trial target
TTD	Inhibitor			ALOX5		Research target
TTD	Inhibitor			CHEK1		Clinical trial target
TTD	Inhibitor			CYP2D6		Successful target
TTD	Inhibitor			CYP3A4		Successful target
TTD	Inhibitor			GSK3B		Clinical trial target
TTD	Antagonist			IL1R1		Successful target
TTD	Inhibitor			LCK		Successful target
TTD	Inhibitor			MAPK1		Research target
TTD	Inhibitor			MAPK10		Research target
TTD	Inhibitor			MAPK11		Research target
TTD	Inhibitor			MAPK12		Clinical trial target
TTD	Inhibitor			MAPK14		Clinical trial target
TTD	Inhibitor			MAPK14		Clinical trial target
TTD	Inhibitor			MAPK8		Clinical trial target
TTD	Inhibitor			MAPK9		Research target
TTD	Inhibitor			PRKCA		Clinical trial target
TTD	Inhibitor			PTGS2		Successful target
TTD	Inhibitor			RAF1		Clinical trial target
TTD	Inhibitor			RIPK2		Research target
TTD	Inhibitor			ROCK1		Clinical trial target
TTD	Inhibitor			RPS6KB1		Discontinued target
TTD	Inhibitor			SGK1		Research target
TTD	Inhibitor			SRC		Successful target
TTD	Inhibitor			TNF		Successful target
PubChem	None	uM		CYP1A2	-	GI(Protien) :
PubChem	None	uM		CYP1A2	-	GI(Protien) :
PubChem	Potency	uM	0.040	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	0.501	CYP3A4	-	GI(Protien) :
PubChem	Potency	uM	1.259	CYP3A4	-	GI(Protien) :
PubChem	None	uM		CYP3A4	-	GI(Protien) :
PubChem	Potency	uM	12.589	MAPK1	-	GI(Protien) :
PubChem	Potency	uM	25.119	MAPK1	-	GI(Protien) :
PubChem	None	uM		SLK	-	GI(Protien) :
PubChem	Potency	uM	14.963	TDP1	-	GI(Protien) :
PubChem	Potency	uM	29.855	TDP1	-	GI(Protien) :
PubChem	Potency	uM	10.910	YES1		GI(Protien) :
ChEMBL	AC50	nM	630.960	CYP1A2	-	Target : CHEMBL3356
ChEMBL	AC50	nM	3981.070	CYP1A2	-	Target : CHEMBL3356
ChEMBL	Potency	nM	39.800	CYP2C19	-	Target : CHEMBL3622
ChEMBL	AC50	nM	39.810	CYP2C19	-	Target : CHEMBL3622
ChEMBL	AC50	nM	1995.260	CYP2C9	-	Target : CHEMBL3397
ChEMBL	Potency	nM	1995.300	CYP2C9	-	Target : CHEMBL3397
ChEMBL	AC50	nM	1258.930	CYP3A4	-	Target : CHEMBL340
ChEMBL	AC50	nM	501.190	CYP3A4	-	Target : CHEMBL340
ChEMBL	Potency	nM	1258.900	CYP3A4	-	Target : CHEMBL340
ChEMBL	Potency	nM	501.200	CYP3A4	-	Target : CHEMBL340
ChEMBL	Potency	nM	19952.600	HSD17B10	-	Target : CHEMBL4159
ChEMBL	Potency	nM	39810.700	HSD17B10	-	Target : CHEMBL4159
ChEMBL	Potency	nM	39810.700	HSD17B10	-	Target : CHEMBL4159
ChEMBL	Potency	nM	31622.800	HSD17B10	-	Target : CHEMBL4159
ChEMBL	Potency	nM	12589.300	MAPK1	-	Target : CHEMBL4040
ChEMBL	Potency	nM	25118.900	MAPK1	-	Target : CHEMBL4040
ChEMBL	Activity	-		MAPK14	-	Target : CHEMBL260
ChEMBL	Activity	-		MAPK14	-	Target : CHEMBL260
ChEMBL	Activity	-		MAPKAPK2	-	Target : CHEMBL2208

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