Tan Lab | DSigDB

Gene Set: D1 - Approved - TRIMETHOPRIM

Collection

D1 : Approved

Chemical Name

TRIMETHOPRIM

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

Molecular Weight	Hydrogen Bond Donor Count	Hydrogen Bond Acceptor Count	cLogP	Lipinski Rule
290.318 g/mol	2	7	2.42	True

Structure

InChI

InChI=1S/C14H18N4O3/c1-19-10-5-8(6-11(20-2)12(10)21-3)4-9-7-17-14(16)18-13(9)15/h5-7H,4H2,1-3H3,(H4,15,16,17,18)

InChIKey

Links

Gene (7 / 18)

⊖ Less

Source	Type	Unit	Value	Gene	PMID	Other
PubChem	Potency	uM	0.006	CBX1	-	GI(Protien) :
PubChem		uM		CYP1A2		GI(Protien) :
PubChem		uM		CYP2C19		GI(Protien) :
PubChem		uM		CYP2C9		GI(Protien) :
PubChem		uM		CYP2D6		GI(Protien) :
PubChem	Potency	uM	12.589	CYP3A4	-	GI(Protien) :
PubChem		uM		CYP3A4		GI(Protien) :
PubChem	Ki	uM	4.900	DHFR		GI(Protien) :
PubChem	Ki	uM	19.070	DHFR		GI(Protien) :
PubChem	Ki	uM	19.070	DHFR		GI(Protien) :
PubChem	IC50	uM	32.200	DHFR		GI(Protien) :
ChEMBL	Potency	nM	6.000	CBX1	-	Target : CHEMBL1741193
ChEMBL	Inhibition	-		CYP1A2	-	Target : CHEMBL3356
ChEMBL	Inhibition	-		CYP2C19	-	Target : CHEMBL3622
ChEMBL	Inhibition	-		CYP2C9	-	Target : CHEMBL3397
ChEMBL	Inhibition	-		CYP2D6	-	Target : CHEMBL289
ChEMBL	Inhibition	-		CYP3A4	-	Target : CHEMBL340
ChEMBL	Potency	nM	12589.300	CYP3A4	-	Target : CHEMBL340

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