Tan Lab | DSigDB

Gene Set: D4 : TTD - Gefitinib

Collection

D4 : TTD

Chemical Name

Gefitinib ( From PubChem : GEFITINIB )

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
446.902 g/mol	1	6	4.2865	True

Structure

InChI

InChI=1S/C22H24ClFN4O3/c1-29-20-13-19-16(12-21(20)31-8-2-5-28-6-9-30-10-7-28)22(26-14-25-19)27-15-3-4-18(24)17(23)11-15/h3-4,11-14H,2,5-10H2,1H3,(H,25,26,27)

InChIKey

XGALLCVXEZPNRQ-UHFFFAOYSA-N

Links

Gene (11 / 38)

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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	7.216	AHR	-	GI(Protien) :
PubChem	Potency-Replicate_1	uM	14.960	AHR	-	GI(Protien) :
PubChem	Potency	uM	0.003	EGFR	-	GI(Protien) :
PubChem	Potency	uM	0.003	EGFR	-	GI(Protien) :
PubChem	EGFR IC50	uM	0.004	EGFR	-	GI(Protien) :
PubChem	None	uM	0.520	EGFR	-	GI(Protien) :
PubChem	None	uM	0.540	EGFR	-	GI(Protien) :
PubChem	None	uM	0.570	EGFR	-	GI(Protien) :
PubChem	None	uM	0.570	EGFR	-	GI(Protien) :
PubChem	None	uM	0.940	EGFR	-	GI(Protien) :
PubChem	None	uM	0.980	EGFR	-	GI(Protien) :
PubChem	None	uM	1.000	EGFR	-	GI(Protien) :
PubChem	None	uM	1.100	EGFR	-	GI(Protien) :
PubChem	Potency	uM	1.122	EGFR	-	GI(Protien) :
PubChem	None	uM	1.400	EGFR	-	GI(Protien) :
PubChem	None	uM	2.000	EGFR	-	GI(Protien) :
PubChem	Ratio Potency (uM)	uM	16.930	ESR1	-	GI(Protien) :
PubChem	Potency-Replicate_1	uM	16.930	ESR1	-	GI(Protien) :
PubChem	Potency	uM	29.855	GMNN	-	GI(Protien) :
PubChem	Potency	uM	39.811	MAPT	-	GI(Protien) :
PubChem	Ratio Potency (uM)	uM	4.730	NFE2L2	-	GI(Protien) :
PubChem	None	uM		PIM1	-	GI(Protien) :
PubChem	None	uM		SLK	-	GI(Protien) :
PubChem	Potency	uM	1.373	YES1		GI(Protien) :
PubChem	Potency	uM	1.729	YES1		GI(Protien) :
ChEMBL	Inhibition	-		EGFR	-	Target : CHEMBL203
ChEMBL	Inhibition	-		EGFR	-	Target : CHEMBL203
ChEMBL	Inhibition	-		EGFR	-	Target : CHEMBL203
ChEMBL	Inhibition	-		EGFR	-	Target : CHEMBL203
ChEMBL	Inhibition	-		EGFR	-	Target : CHEMBL203
ChEMBL	Potency	nM	1122.000	EGFR	-	Target : CHEMBL203
ChEMBL	Potency	nM	3.200	EGFR	-	Target : CHEMBL203
ChEMBL	Potency	nM	3.200	EGFR	-	Target : CHEMBL203
ChEMBL	Inhibition	-		ERBB2	-	Target : CHEMBL1824
ChEMBL	Potency	nM	39810.700	MAPT	-	Target : CHEMBL1293224
ChEMBL	Inhibition	-		MET	-	Target : CHEMBL3717

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