Tan Lab | DSigDB

Gene Set: D4 : TTD - Erlotinib

Collection

D4 : TTD

Chemical Name

Erlotinib ( From PubChem : ERLOTINIB )

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

Molecular Weight	Hydrogen Bond Donor Count	Hydrogen Bond Acceptor Count	cLogP	Lipinski Rule
393.436 g/mol	1	6	3.4781	True

Structure

InChI

InChI=1S/C22H23N3O4/c1-4-16-6-5-7-17(12-16)25-22-18-13-20(28-10-8-26-2)21(29-11-9-27-3)14-19(18)23-15-24-22/h1,5-7,12-15H,8-11H2,2-3H3,(H,23,24,25)

InChIKey

Links

Gene (12 / 33)

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Source	Type	Unit	Value	Gene	PMID	Other
TTD	Inhibitor			EGFR		Successful target
TTD	Drug(s)			EGFR		Successful target
PubChem	AhR Potency (uM)	uM	1.883	AHR	-	GI(Protien) :
PubChem	Potency-Replicate_1	uM	2.660	AHR	-	GI(Protien) :
PubChem	Potency-Replicate_1	uM	21.132	AR	-	GI(Protien) :
PubChem	Potency	uM	20.666	CLK4	-	GI(Protien) :
PubChem	Potency-Replicate_1	uM	18.834	CYP19A1	-	GI(Protien) :
PubChem	None	uM		CYP19A1	-	GI(Protien) :
PubChem	Potency	uM	0.001	EGFR	-	GI(Protien) :
PubChem	Potency	uM	0.001	EGFR	-	GI(Protien) :
PubChem	EGFR IC50	uM	0.001	EGFR	-	GI(Protien) :
PubChem	None	uM	0.350	EGFR	-	GI(Protien) :
PubChem	None	uM	0.470	EGFR	-	GI(Protien) :
PubChem	None	uM	0.480	EGFR	-	GI(Protien) :
PubChem	None	uM	0.520	EGFR	-	GI(Protien) :
PubChem	None	uM	0.520	EGFR	-	GI(Protien) :
PubChem	None	uM	0.670	EGFR	-	GI(Protien) :
PubChem	None	uM	0.850	EGFR	-	GI(Protien) :
PubChem	None	uM	0.970	EGFR	-	GI(Protien) :
PubChem	None	uM	1.200	EGFR	-	GI(Protien) :
PubChem	None	uM	1.600	EGFR	-	GI(Protien) :
PubChem	None	uM	3.100	GAK	-	GI(Protien) :
PubChem	irf1 Inhibition [HEL cells] (IC50)	uM	0.835	JAK2	-	GI(Protien) :
PubChem	Ratio Potency (uM)	uM	2.371	NFE2L2	-	GI(Protien) :
PubChem	Ratio Potency (uM)	uM	20.511	NR3C1	-	GI(Protien) :
PubChem	None	uM		SLK	-	GI(Protien) :
PubChem	Potency	uM	13.336	TDP1	-	GI(Protien) :
PubChem	Potency	uM	0.972	YES1		GI(Protien) :
ChEMBL	Potency	nM	20666.500	CLK4	-	Target : CHEMBL4203
ChEMBL	Inhibition	-		EGFR	-	Target : CHEMBL203
ChEMBL	Potency	nM	0.900	EGFR	-	Target : CHEMBL203
ChEMBL	Potency	nM	0.800	EGFR	-	Target : CHEMBL203
ChEMBL	Activity	um	0.835	JAK2	-	Target : CHEMBL2971

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