Tan Lab | DSigDB

Gene Set: D1 - Approved - IMATINIB MESYLATE

Collection

D1 : Approved

Chemical Name

IMATINIB MESYLATE

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
589.708 g/mol	3	10	5.1969	False(2/4)

Structure

InChI

InChI=1S/C29H31N7O.CH4O3S/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;1-5(2,3)4/h3-13,18-19H,14-17,20H2,1-2H3,(H,32,37)(H,31,33,34);1H3,(H,2,3,4)

InChIKey

YLMAHDNUQAMNNX-UHFFFAOYSA-N

Links

Gene (10 / 17)

⊖ Less

Source	Type	Unit	Value	Gene	PMID	Other
PubChem	EC50	uM	0.090	ABL1		GI(Protien) :
PubChem	IC50	uM	0.430	ABL1		GI(Protien) :
PubChem		uM		ABL1	-	GI(Protien) :
PubChem	AhR Potency (uM)	uM	13.855	AHR	-	GI(Protien) :
PubChem	Potency	uM	21.132	AHR	-	GI(Protien) :
PubChem	EC50	uM	0.090	BCR		GI(Protien) :
PubChem	Potency	uM	20.596	IDH1	-	GI(Protien) :
PubChem		uM		KIT	-	GI(Protien) :
PubChem		uM		MAP4K2	-	GI(Protien) :
PubChem		uM		NR1H4	-	GI(Protien) :
PubChem		uM		PDGFRB	-	GI(Protien) :
PubChem	AC50_uM	uM	18.970	RAD52	-	GI(Protien) :
PubChem		uM		RAD52	-	GI(Protien) :
PubChem	Potency	uM	16.360	TDP1	-	GI(Protien) :
PubChem	Potency	uM	23.715	TDP1	-	GI(Protien) :
ChEMBL	Potency	nM	20596.200	IDH1	-	Target : CHEMBL2007625
ChEMBL	AC50	nM	18970.000	RAD52	-	Target : CHEMBL2362978

Download gene sets

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