Tan Lab | DSigDB

Gene Set: D4 : TTD - Leflunomide

Collection

D4 : TTD

Chemical Name

Leflunomide ( From PubChem : LEFLUNOMIDE )

FDA	NPC	WHO	Indian	Australia	China	Traditional Herbal	Clinical Trail
Approved	Not	Not	Not	Approved	Not	Not	Not

Molecular Weight	Hydrogen Bond Donor Count	Hydrogen Bond Acceptor Count	cLogP	Lipinski Rule
270.207 g/mol	1	4	3.3271	True

Structure

InChI

InChI=1S/C12H9F3N2O2/c1-7-10(6-16-19-7)11(18)17-9-4-2-8(3-5-9)12(13,14)15/h2-6H,1H3,(H,17,18)

InChIKey

VHOGYURTWQBHIL-UHFFFAOYSA-N

Links

Gene (20 / 51)

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Source	Type	Unit	Value	Gene	PMID	Other
TTD	Inhibitor			DHODH		Successful target
TTD	Drug(s)			DHODH		Successful target
PubChem	AhR Potency (uM)	uM	1.012	AHR	-	GI(Protien) :
PubChem	Potency-Replicate_1	uM	1.136	AHR	-	GI(Protien) :
PubChem	AhR Potency (uM)	uM	6.601	AHR	-	GI(Protien) :
PubChem	Potency-Replicate_1	uM	21.690	AHR	-	GI(Protien) :
PubChem	None	uM		AHR	-	GI(Protien) :
PubChem	Potency	uM	2.059	ATAD5	-	GI(Protien) :
PubChem	None	uM		CASP3	-	GI(Protien) :
PubChem	None	uM		CYP1A2	-	GI(Protien) :
PubChem	None	uM		CYP1A2	-	GI(Protien) :
PubChem	Potency	uM	0.631	CYP3A4	-	GI(Protien) :
PubChem	Potency	uM	5.012	CYP3A4	-	GI(Protien) :
PubChem	None	uM		CYP3A4	-	GI(Protien) :
PubChem	None	uM		DRD1	-	GI(Protien) :
PubChem	None	uM		DRD2	-	GI(Protien) :
PubChem	Ratio Potency (uM)	uM	19.494	HSPB1	-	GI(Protien) :
PubChem	Potency	uM	0.316	HTT	-	GI(Protien) :
PubChem	EC50	uM	5.650	MMP14	-	GI(Protien) :
PubChem	Ratio Potency (uM)	uM	20.477	NFE2L2	-	GI(Protien) :
PubChem	Potency-Replicate_1	uM	30.638	NFE2L2	-	GI(Protien) :
PubChem	None	uM		NR0B1	-	GI(Protien) :
PubChem	Potency	uM	1.413	RAB9A	-	GI(Protien) :
PubChem	None	uM		SENP6	-	GI(Protien) :
PubChem	None	uM		SENP6	-	GI(Protien) :
PubChem	None	uM		SENP7	-	GI(Protien) :
PubChem	None	uM		SENP7	-	GI(Protien) :
PubChem	None	uM		SENP8	-	GI(Protien) :
PubChem	None	uM		SENP8	-	GI(Protien) :
PubChem	Potency	uM	7.080	SMN2	-	GI(Protien) :
PubChem	Potency	uM	11.220	SMN2	-	GI(Protien) :
PubChem	Potency	uM	14.125	SMN2	-	GI(Protien) :
PubChem	Potency	uM	15.849	SMN2	-	GI(Protien) :
PubChem	Potency	uM	17.783	SMN2	-	GI(Protien) :
PubChem	Potency	uM	1.014	TDP1	-	GI(Protien) :
PubChem	Potency	uM	4.611	TDP1	-	GI(Protien) :
PubChem	Potency	uM	7.308	TDP1	-	GI(Protien) :
PubChem	Potency	uM	9.200	TDP1	-	GI(Protien) :
ChEMBL	Potency	nM	2058.800	ATAD5	-	Target : CHEMBL1741209
ChEMBL	AC50	nM	63.100	CYP1A2	-	Target : CHEMBL3356
ChEMBL	AC50	nM	5011.870	CYP3A4	-	Target : CHEMBL340
ChEMBL	Potency	nM	631.000	CYP3A4	-	Target : CHEMBL340
ChEMBL	Potency	nM	5011.900	CYP3A4	-	Target : CHEMBL340
ChEMBL	Inhibition	-		DHODH	-	Target : CHEMBL1966
ChEMBL	Potency	nM	316.200	HTT	-	Target : CHEMBL5514
ChEMBL	Potency	nM	1412.500	RAB9A	-	Target : CHEMBL1293294
ChEMBL	Potency	nM	15848.900	SMN1; SMN2	-	Target : CHEMBL1293232
ChEMBL	Potency	nM	14125.400	SMN1; SMN2	-	Target : CHEMBL1293232
ChEMBL	Potency	nM	7079.500	SMN1; SMN2	-	Target : CHEMBL1293232
ChEMBL	Potency	nM	11220.200	SMN1; SMN2	-	Target : CHEMBL1293232
ChEMBL	Potency	nM	17782.800	SMN1; SMN2	-	Target : CHEMBL1293232

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