Tan Lab | DSigDB

Gene Set: D4 : TTD - CI-1033

Collection

D4 : TTD

Chemical Name

CI-1033 ( From PubChem : CANERTINIB DIHYDROCHLORIDE )

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
558.86 g/mol	4	7	6.0794	False(2/4)

Structure

InChI

InChI=1S/C24H25ClFN5O3.2ClH/c1-2-23(32)30-21-13-17-20(14-22(21)34-9-3-6-31-7-10-33-11-8-31)27-15-28-24(17)29-16-4-5-19(26)18(25)12-16;;/h2,4-5,12-15H,1,3,6-11H2,(H,30,32)(H,27,28,29);2*1H

InChIKey

JZZFDCXSFTVOJY-UHFFFAOYSA-N

Links

Gene (16 / 47)

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Source	Type	Unit	Value	Gene	PMID	Other
TTD	Multitarget			AKT1		Clinical trial target
TTD	Inhibitor			AKT1		Clinical trial target
TTD	Drug(s)			AKT1		Clinical trial target
TTD	Multitarget			AKT2		Clinical trial target
TTD	Inhibitor			AKT2		Clinical trial target
TTD	Drug(s)			AKT2		Clinical trial target
TTD	Multitarget			AKT3		Clinical trial target
TTD	Inhibitor			AKT3		Clinical trial target
TTD	Drug(s)			AKT3		Clinical trial target
TTD	Multitarget			EGFR		Successful target
TTD	Inhibitor			EGFR		Successful target
TTD	Drug(s)			EGFR		Successful target
TTD	Multitarget			ERBB2		Successful target
TTD	Inhibitor			ERBB2		Successful target
TTD	Drug(s)			ERBB2		Successful target
TTD	Multitarget			ERBB4		Discontinued target
TTD	Inhibitor			ERBB4		Discontinued target
TTD	Drug(s)			ERBB4		Discontinued target
PubChem	Ratio Potency (uM)	uM	3.011	AR	-	GI(Protien) :
PubChem	None	uM	0.130	EGFR	-	GI(Protien) :
PubChem	None	uM	0.170	EGFR	-	GI(Protien) :
PubChem	None	uM	0.190	EGFR	-	GI(Protien) :
PubChem	None	uM	0.190	EGFR	-	GI(Protien) :
PubChem	None	uM	0.190	EGFR	-	GI(Protien) :
PubChem	None	uM	0.220	EGFR	-	GI(Protien) :
PubChem	None	uM	0.240	EGFR	-	GI(Protien) :
PubChem	None	uM	0.260	EGFR	-	GI(Protien) :
PubChem	None	uM	0.260	EGFR	-	GI(Protien) :
PubChem	None	uM	0.260	EGFR	-	GI(Protien) :
PubChem	Potency-Replicate_1	uM	23.915	ESR1	-	GI(Protien) :
PubChem	Ratio Potency (uM)	uM	25.307	ESR1	-	GI(Protien) :
PubChem	Potency-Replicate_1	uM	29.849	ESR1	-	GI(Protien) :
PubChem	Ratio Potency (uM)	uM	17.779	HSPB1	-	GI(Protien) :
PubChem	Potency	uM	11.530	MTOR	-	GI(Protien) :
PubChem	Ratio Potency (uM)	uM	2.660	NFE2L2	-	GI(Protien) :
PubChem	None	uM		NR1H4	-	GI(Protien) :
PubChem	Potency-Replicate_1	uM	3.011	NR3C1	-	GI(Protien) :
PubChem	Potency	uM	4.732	TDP1	-	GI(Protien) :
PubChem	Potency	uM	5.309	TDP1	-	GI(Protien) :
PubChem	Potency	uM	0.173	YES1		GI(Protien) :
ChEMBL	Activity	-		BMX	-	Target : CHEMBL3834
ChEMBL	Activity	-		BMX	-	Target : CHEMBL3834
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

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