Tan Lab | DSigDB

Gene Set: D4 : TTD - PD-153035

Collection

D4 : TTD

Chemical Name

PD-153035 ( From PubChem : 153436-54-5 )

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
360.205 g/mol	1	4	4.2261	True

Structure

InChI

InChI=1S/C16H14BrN3O2/c1-21-14-7-12-13(8-15(14)22-2)18-9-19-16(12)20-11-5-3-4-10(17)6-11/h3-9H,1-2H3,(H,18,19,20)

InChIKey

Links

Gene (12 / 33)

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Source	Type	Unit	Value	Gene	PMID	Other
TTD	Inhibitor			EGFR		Successful target
TTD	Inhibitor			KDR		Successful target
PubChem	None	uM		CYP1A2	-	GI(Protien) :
PubChem	None	uM		CYP1A2	-	GI(Protien) :
PubChem	Potency	uM	1.995	CYP2C19	-	GI(Protien) :
PubChem	None	uM		CYP2C19	-	GI(Protien) :
PubChem	Potency	uM	0.398	CYP2C9	-	GI(Protien) :
PubChem	None	uM		CYP2C9	-	GI(Protien) :
PubChem	Potency	uM	5.012	CYP3A4	-	GI(Protien) :
PubChem	None	uM		CYP3A4	-	GI(Protien) :
PubChem	None	uM		GEM	-	GI(Protien) :
PubChem	irf1 Inhibition [Ba/F3 cells] (IC50)	uM	1.310	JAK2	-	GI(Protien) :
PubChem	irf1 Inhibition [HEL cells] (IC50)	uM	3.157	JAK2	-	GI(Protien) :
PubChem	JAK2V617F Inhibition (IC50)	uM	4.940	JAK2	-	GI(Protien) :
PubChem	None	uM		JAK2	-	GI(Protien) :
PubChem	Potency	uM	0.100	MAPK1	-	GI(Protien) :
PubChem	None	uM		SLK	-	GI(Protien) :
PubChem	Potency	uM	16.789	TDP1	-	GI(Protien) :
ChEMBL	AC50	nM	501.190	CYP1A2	-	Target : CHEMBL3356
ChEMBL	AC50	nM	1995.260	CYP2C19	-	Target : CHEMBL3622
ChEMBL	Potency	nM	1995.300	CYP2C19	-	Target : CHEMBL3622
ChEMBL	AC50	nM	398.110	CYP2C9	-	Target : CHEMBL3397
ChEMBL	Potency	nM	398.100	CYP2C9	-	Target : CHEMBL3397
ChEMBL	Potency	nM	5011.900	CYP3A4	-	Target : CHEMBL340
ChEMBL	AC50	nM	5011.870	CYP3A4	-	Target : CHEMBL340
ChEMBL	Activity	-		EGFR	-	Target : CHEMBL203
ChEMBL	Activity	-		EGFR	-	Target : CHEMBL203
ChEMBL	Activity	um	1.310	JAK2	-	Target : CHEMBL2971
ChEMBL	Activity	um	3.160	JAK2	-	Target : CHEMBL2971
ChEMBL	Activity	um	4.940	JAK2	-	Target : CHEMBL2971
ChEMBL	Potency	nM	100.000	MAPK1	-	Target : CHEMBL4040
ChEMBL	Activity	-		MAPK1	-	Target : CHEMBL4040
ChEMBL	Activity	-		MAPK3	-	Target : CHEMBL3385

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