Tan Lab | DSigDB

Gene Set: D4 : TTD - Trimetrexate

Collection

D4 : TTD

Chemical Name

Trimetrexate ( From PubChem : TRIMETREXATE )

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
369.418 g/mol	3	8	3.9759	True

Structure

InChI

InChI=1S/C19H23N5O3/c1-10-11(5-6-13-16(10)18(20)24-19(21)23-13)9-22-12-7-14(25-2)17(27-4)15(8-12)26-3/h5-8,22H,9H2,1-4H3,(H4,20,21,23,24)

InChIKey

Links

Gene (9 / 17)

⊖ Less

Source	Type	Unit	Value	Gene	PMID	Other
TTD	Inhibitor			DHFR		Successful target
TTD	Drug(s)			DHFR		Successful target
TTD	Inhibitor			PDF		Successful target
TTD	Drug(s)			PDF		Successful target
PubChem	Potency	uM	17.783	BLM	-	GI(Protien) :
PubChem	Potency	uM	10.000	EHMT2	-	GI(Protien) :
PubChem	None	uM		GAPDH	-	GI(Protien) :
PubChem	Potency	uM	25.119	KMT2A	-	GI(Protien) :
PubChem	Potency	uM	19.953	MAPT	-	GI(Protien) :
PubChem	Potency	uM	25.119	MEN1	-	GI(Protien) :
PubChem	Potency	uM	8.912	VDR	-	GI(Protien) :
PubChem	Potency	uM	25.119	VDR	-	GI(Protien) :
ChEMBL	Potency	nM	17782.800	BLM	-	Target : CHEMBL1293237
ChEMBL	Potency	nM	10000.000	EHMT2	-	Target : CHEMBL6032
ChEMBL	Potency	nM	25118.900	KMT2A	-	Target : CHEMBL2093861
ChEMBL	Potency	nM	19952.600	MAPT	-	Target : CHEMBL1293224
ChEMBL	Potency	nM	25118.900	MEN1	-	Target : CHEMBL2093861

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