Tan Lab | DSigDB

Gene Set: D4 : TTD - Imatinib

Collection

D4 : TTD

Chemical Name

Imatinib ( From PubChem : IMATINIB )

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

Molecular Weight	Hydrogen Bond Donor Count	Hydrogen Bond Acceptor Count	cLogP	Lipinski Rule
493.603 g/mol	2	7	4.6121	True

Structure

InChI

InChI=1S/C29H31N7O/c1-21-5-10-25(18-27(21)34-29-31-13-11-26(33-29)24-4-3-12-30-19-24)32-28(37)23-8-6-22(7-9-23)20-36-16-14-35(2)15-17-36/h3-13,18-19H,14-17,20H2,1-2H3,(H,32,37)(H,31,33,34)

InChIKey

KTUFNOKKBVMGRW-UHFFFAOYSA-N

Links

Gene (17 / 43)

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Source	Type	Unit	Value	Gene	PMID	Other
TTD	Multitarget			ABL1		Successful target
TTD	Inhibitor			ABL1		Successful target
TTD	Drug(s)			ABL1		Successful target
TTD	Multitarget			ABL2		Successful target
TTD	Inhibitor			ABL2		Successful target
TTD	Drug(s)			ABL2		Successful target
TTD	Multitarget			KIT		Successful target
TTD	Inhibitor			KIT		Successful target
TTD	Drug(s)			KIT		Successful target
TTD	Inhibitor			SYK		Clinical trial target
PubChem	None	uM	8.500	ABL1	-	GI(Protien) :
PubChem	None	uM	10.000	ABL2	-	GI(Protien) :
PubChem	None	uM	0.700	DDR1	-	GI(Protien) :
PubChem	Potency	uM	9.530	EYA2	-	GI(Protien) :
PubChem	Potency	uM	12.589	SMAD3	-	GI(Protien) :
PubChem	Potency	uM	11.220	TDP1	-	GI(Protien) :
PubChem	Potency	uM	17.783	TDP1	-	GI(Protien) :
PubChem	Potency	uM	27.404	YES1		GI(Protien) :
PubChem	AhR Potency (uM)	uM	13.855	AHR	-	GI(Protien) :
PubChem	Potency-Replicate_1	uM	21.132	AHR	-	GI(Protien) :
PubChem	Potency	uM	20.596	IDH1	-	GI(Protien) :
PubChem	None	uM		MAP4K2	-	GI(Protien) :
PubChem	None	uM		NR1H4	-	GI(Protien) :
PubChem	AC50_uM	uM	18.970	RAD52	-	GI(Protien) :
PubChem	None	uM		RAD52	-	GI(Protien) :
PubChem	Potency	uM	16.360	TDP1	-	GI(Protien) :
PubChem	Potency	uM	23.715	TDP1	-	GI(Protien) :
ChEMBL	Inhibition	-		ABL1	-	Target : CHEMBL2096618
ChEMBL	Inhibition	-		ABL1	-	Target : CHEMBL2096618
ChEMBL	Inhibition	-		ABL1	-	Target : CHEMBL2096618
ChEMBL	Inhibition	-		ABL1	-	Target : CHEMBL1862
ChEMBL	Inhibition	-		ABL1	-	Target : CHEMBL2096618
ChEMBL	Inhibition	-		BCR	-	Target : CHEMBL2096618
ChEMBL	Inhibition	-		BCR	-	Target : CHEMBL2096618
ChEMBL	Inhibition	-		BCR	-	Target : CHEMBL2096618
ChEMBL	Inhibition	-		BCR	-	Target : CHEMBL2096618
ChEMBL	Activity	-		NQO2	-	Target : CHEMBL3959
ChEMBL	Activity	-		NQO2	-	Target : CHEMBL3959
ChEMBL	Activity	-		NQO2	-	Target : CHEMBL3959
ChEMBL	Activity	-		NQO2	-	Target : CHEMBL3959
ChEMBL	Activity	-		NQO2	-	Target : CHEMBL3959
ChEMBL	Inhibition	-		SFN	-	Target : CHEMBL1909482
ChEMBL	Inhibition	-		SFN	-	Target : CHEMBL1909482

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